Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11280291 | 0.92 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL7385975 | 0.90 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19KCNH2 | |
| SCHEMBL7381122 | 0.89 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10580910 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL2127289 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10579548 | 0.87 | KDM4E (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL30954270 | 0.87 | KDM4E (0.45) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL2126529 | 0.85 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL7383920 | 0.85 | CYP2C9 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 | |
| SCHEMBL10580574 | 0.85 | KDM4E (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150150819-A1 | COMPOSITIONS CONTAINING OPIOID ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2015-06-04 | — | — | US | disclosed |
| US-20150126554-A1 | METHODS OF PREVENTING AND TREATING GASTROINTESTINAL DYSFUNCTION | ADOLOR CORPORATION | 2015-05-07 | — | — | US | disclosed |
| US-8946262-B2 | Methods of preventing and treating gastrointestinal dysfunction | ADOLOR CORPORATION (US) | 2015-02-03 | — | — | US | disclosed |
| US-8895560-B2 | Opioid antagonists | ADOLOR CORPORATION (US) | 2014-11-25 | — | — | US | disclosed |
| US-20140303211-A1 | COMPOSITIONS CONTAINING OPIOID ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2014-10-09 | — | — | US | disclosed |
| US-20140186951-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2014-07-03 | — | — | US | disclosed |
| US-20140057947-A1 | COMPOSITIONS CONTAINING OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2014-02-27 | — | — | US | disclosed |
| US-8598207-B2 | Compositions containing opioid antagonists | ADOLOR CORPORATION (US) | 2013-12-03 | — | — | US | disclosed |
| US-20130317035-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2013-11-28 | — | — | US | disclosed |
| US-8580788-B2 | Opioid antagonists | ADOLOR CORPORATION (US) | 2013-11-12 | — | — | US | disclosed |
| US-20050054630-A1 | Fused bicyclic carboxamide derivatives and methods of their use | CUBIST PHARMACEUTICALS, INC. | 2005-03-10 | — | — | US | disclosed |
| US-6852713-B2 | Lactam derivatives and methods of their use | ADOLOR CORPORATION (US) | 2005-02-08 | — | — | US | disclosed |
| WO-2005004796-A2 | SULFONYLAMINO PHENYLACETAMIDE DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2005-01-20 | — | — | WO | disclosed |
| WO-2004112704-A2 | SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2004-12-29 | — | — | WO | disclosed |
| US-20040254218-A1 | Substituted piperidine compounds and methods of their use | CUBIST PHARMACEUTICALS, INC. | 2004-12-16 | — | — | US | disclosed |
| US-20040254156-A1 | Sulfonylamino phenylacetamide derivatives and methods of their use | CALIXA THERAPEUTICS, INC. | 2004-12-16 | — | — | US | disclosed |
| WO-2004093796-A2 | LACTAM DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2004-11-04 | — | — | WO | disclosed |
| US-20040209857-A1 | Lactam derivatives and methods of their use | ADOLOR CORPORATION | 2004-10-21 | — | — | US | disclosed |
| WO-2004082623-A2 | SUBSTITUTED PIPERIDINE COMPOUNDS | ADOLOR CORPORATION (US) | 2004-09-30 | — | — | WO | disclosed |
| US-20040186135-A1 | Substituted piperidine compounds | CUBIST PHARMACEUTICALS, INC. | 2004-09-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140057947-A1 | COMPOSITIONS CONTAINING OPIOID ANTAGONISTS | OPRK1, OPRL1, OPRM1 | ALDH1A1 1750/4885CYP1A2 157/4885CYP2C9 173/4885 |
| US-20130317035-A1 | NOVEL OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRL1 | ALDH1A1 761/4885CYP1A2 474/4885CYP2C9 720/4885 |
| US-20040254218-A1 | Substituted piperidine compounds and methods of their use | OPRM1, OPRK1, OPRD1 | ALDH1A1 438/4885CYP1A2 332/4885CYP2C9 321/4885 |
| US-20040186135-A1 | Substituted piperidine compounds | OPRK1, OPRD1, OPRM1 | ALDH1A1 431/4885CYP1A2 558/4885CYP2C9 796/4885 |
| US-20040254156-A1 | Sulfonylamino phenylacetamide derivatives and methods of their use | CYP2E1, CYP2D6, CYP3A43 | ALDH1A1 94/4885CYP1A2 11/4885CYP2C9 10/4885 |
| US-20150126554-A1 | METHODS OF PREVENTING AND TREATING GASTROINTESTINAL DYSFUNCTION | VIP, FABP2, SI | ALDH1A1 444/4885CYP1A2 530/4885CYP2C9 1619/4885 |
| US-20140303211-A1 | COMPOSITIONS CONTAINING OPIOID ANTAGONISTS | OPRK1, OPRL1, OPRM1 | ALDH1A1 1750/4885CYP1A2 157/4885CYP2C9 173/4885 |
| US-20150150819-A1 | COMPOSITIONS CONTAINING OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRD1 | ALDH1A1 2312/4885CYP1A2 102/4885CYP2C9 87/4885 |
| US-20040209857-A1 | Lactam derivatives and methods of their use | MRPL21, SI, PEPD | ALDH1A1 618/4885CYP1A2 100/4885CYP2C9 12/4885 |
| US-20050054630-A1 | Fused bicyclic carboxamide derivatives and methods of their use | PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 | ALDH1A1 1541/4885CYP1A2 273/4885CYP2C9 58/4885 |
| US-20140186951-A1 | NOVEL OPIOID ANTAGONISTS | OPRK1, OPRM1, OPRL1 | ALDH1A1 761/4885CYP1A2 474/4885CYP2C9 720/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.