Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14828549 | 0.93 | PARP15 (0.40) | ABCB1CES2CES1BCHEOPRM1 | |
| SCHEMBL2976919 | 0.87 | KDM4E (0.45) | AURKAPARP1MAPTKDM4EALDH1A1 | |
| SCHEMBL3686998 | 0.84 | ALB (0.53) | ABCB1CES2CES1BCHEALB | |
| SCHEMBL12818479 | 0.80 | KDM4E (0.53) | PARP1MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL1990045 | 0.79 | PARP1 (0.44) | PARP1HTTPOLBESR2MAPT | |
| Bicarbonate SCHEMBL9363462 | 0.79 | ABCB1 (0.51) | ABCB1CES2CES1BCHEALB | |
| SCHEMBL1116602 | 0.79 | SLC6A2 (0.46) | CES2CES1PARP1PBRM1MAPT | |
| SCHEMBL2770591 | 0.79 | CES2 (0.42) | CES2CES1BCHEPARP1 | |
| SCHEMBL4191551 | 0.79 | HTR1A (0.42) | CES2CES1OPRM1OPRD1PARP1 | |
| SCHEMBL3840452 | 0.79 | CXCR5 (0.45) | PARP1HTTKDM4EALDH1A1HPGD |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163771-B2 | 11 β-HSD1 modulators | EXELIXIS, INC. (US) | 2012-04-24 | — | — | US | claimed |
| EP-2280966-A1 | AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS | Exelixis, Inc. (US) | 2011-02-09 | — | — | EP | claimed |
| US-20100105675-A2 | 11 BETA-HSD1 MODULATORS | EXELIXIS, INC. (US) | 2010-04-29 | — | — | US | claimed |
| US-20090247515-A1 | 11 Beta-HSD1 Modulators | EXELIXIS, INC. (US) | 2009-10-01 | — | — | US | claimed |
| WO-2009114173-A1 | AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS | EXELIXIS, INC. (US) | 2009-09-17 | — | — | WO | claimed |
| US-8415373-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| US-8415356-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2013-04-09 | — | — | US | disclosed |
| US-8324250-B2 | Piperidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-8242134-B2 | Isoquinolinone derivatives as NK3 antagonists | H. LUNDBECK A/S (DK) | 2012-08-14 | — | — | US | disclosed |
| US-8163771-B2 | 11 β-HSD1 modulators | EXELIXIS, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2280966-A1 | AZABICYCLO [3.2.1]OCTYL DERIVATIVES AS 11 BETA-HSD1 MODULATORS | Exelixis, Inc. (US) | 2011-02-09 | — | — | EP | disclosed |
| US-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-10-07 | — | — | US | disclosed |
| US-20100105675-A2 | 11 BETA-HSD1 MODULATORS | EXELIXIS, INC. (US) | 2010-04-29 | — | — | US | disclosed |
| US-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-25 | — | — | US | disclosed |
| US-20090247515-A1 | 11 Beta-HSD1 Modulators | EXELIXIS, INC. (US) | 2009-10-01 | — | — | US | disclosed |
| WO-2009114173-A1 | AZABICYCLO [3. 2. I] OCTYL DERIVATIVES AS 11 BETA-HSDL MODULATORS | EXELIXIS, INC. (US) | 2009-09-17 | — | — | WO | disclosed |
| US-20090069320-A1 | Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof | GRUENENTHAL GMBH (DE) | 2009-03-12 | — | — | US | disclosed |
| WO-2008118758-A1 | INHIBITORS OF ION CHANNELS | ICAGEN, INC. (GB) | 2008-10-02 | — | — | WO | 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 (5 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-20100076016-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | KCNQ3, KCNK3, GRIK3 | ABCB1 432/4885CES2 3094/4885CES1 4478/4885 |
| US-20100105675-A2 | 11 BETA-HSD1 MODULATORS | HSD11B1, HSD11B2, HSD3B1 | ABCB1 434/4885CES2 887/4885CES1 50/4885 |
| US-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HTR3A, OPRL1, OPRK1 | ABCB1 261/4885CES2 2184/4885CES1 3795/4885 |
| US-20090247515-A1 | 11 Beta-HSD1 Modulators | HSD11B1, HSD11B2, HSD3B1 | ABCB1 387/4885CES2 1237/4885CES1 67/4885 |
| US-20090069320-A1 | Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof | GRM1, GRIN1, GRM2 | ABCB1 1029/4885CES2 1620/4885CES1 2219/4885 |
“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.