Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1962418 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP3A4ROCK2HTR7KEAP1 | |
| Hydrochloric Acid SCHEMBL15994726 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP3A4ROCK2HTR7KEAP1 | |
| SCHEMBL6921826 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP3A4ROCK2PTPN1MEN1 | |
| SCHEMBL1784325 | 0.83 | KDM4E (0.53) | ALDH1A1ROCK2KEAP1NFE2L2HRH3 | |
| SCHEMBL30129318 | 0.81 | PTPN1 (0.48) | ALDH1A1PTPN1HTR7HRH3MTNR1A | |
| SCHEMBL27747991 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CYP3A4PTPN1NOS3NOS1 | |
| SCHEMBL8263427 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CYP3A4NOS3NOS1MEN1 | |
| SCHEMBL16372540 | 0.80 | ROCK2 (0.56) | ALDH1A1CYP3A4ROCK2HTR7KEAP1 | |
| SCHEMBL1962803 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CYP3A4HRH3THRBSMN1; SMN2 | |
| SCHEMBL5880249 | 0.79 | NOS3 (0.48) | ALDH1A1PTPN1HTR7NOS3NOS1 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102796075-B | Benzocycloheptenes derivative as well as preparation method and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2014-03-12 | — | — | CN | disclosed |
| CN-101481323-B | Benzocycloheptenes derivatives, preparation method and medical application thereof | POISON MED INST PLA MED ACAD | 2013-11-20 | — | — | CN | disclosed |
| EP-1919892-B1 | ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | CELGENE CORP (US) | 2013-08-14 | — | — | EP | disclosed |
| EP-1919892-B1 | ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | CELGENE CORP (US) | 2013-08-14 | — | — | EP | disclosed |
| US-8481568-B2 | Isoindole-imide compounds and compositions comprising and methods of using the same | CELGENE CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |
| US-8481568-B2 | Isoindole-imide compounds and compositions comprising and methods of using the same | CELGENE CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |
| US-8481568-B2 | Isoindole-imide compounds and compositions comprising and methods of using the same | CELGENE CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |
| CN-102796075-A | Benzocycloheptenes derivative as well as preparation method and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2012-11-28 | — | — | CN | disclosed |
| US-20110144158-A1 | ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | SEPRACOR INC. | 2011-06-16 | — | — | US | disclosed |
| US-20110144158-A1 | ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | SEPRACOR INC. | 2011-06-16 | — | — | US | disclosed |
| WO-2007027527-A2 | ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | CELGENE CORPORATION (US) | 2007-03-08 | — | — | WO | disclosed |
| US-20070049618-A1 | Isoindole-imide compounds and compositions comprising and methods of using the same | CELGENE CORPORATION | 2007-03-01 | — | — | US | disclosed |
| US-20070049618-A1 | Isoindole-imide compounds and compositions comprising and methods of using the same | CELGENE CORPORATION | 2007-03-01 | — | — | US | disclosed |
| US-20070049618-A1 | Isoindole-imide compounds and compositions comprising and methods of using the same | CELGENE CORPORATION | 2007-03-01 | — | — | US | disclosed |
| EP-0752982-B1 | BIPHENYL DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-10-14 | — | — | EP | disclosed |
| US-5801170-A | Heterocyclic biphenylylamides useful as 5HT1D antagonists | SMITHKLINE BEECHAM PLC (GB) | 1998-09-01 | — | — | US | disclosed |
| EP-0752982-A1 | BIPHENYL DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-01-15 | — | — | EP | disclosed |
| EP-0733048-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995026328-A1 | BIPHENYL DERIVATIVES AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-05 | — | — | WO | disclosed |
| WO-1995015954-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-06-15 | — | — | 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 (2 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-20110144158-A1 | ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME | SI, CYP3A5, CYP2D6 | ALDH1A1 1081/4885CYP3A4 16/4885ROCK2 1823/4885 |
| US-20070049618-A1 | Isoindole-imide compounds and compositions comprising and methods of using the same | SI, CYP3A5, CYP2D6 | ALDH1A1 1081/4885CYP3A4 16/4885ROCK2 1823/4885 |
“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.