Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 1/20 | 0.49 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.49 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.49 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.49 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.49 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4899103 | 0.89 | EPHX2 (0.48) | ALDH1A1MCL1DHODHPRKAB2PRKAG1 | |
| SCHEMBL1380821 | 0.82 | EPHX2 (0.47) | MCL1MAPK1HRH3FFAR1EPHX2 | |
| SCHEMBL3569092 | 0.78 | KDM4E (0.65) | NPC1KDM4ESMN1; SMN2ALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL20575883 | 0.77 | KDM4E (0.64) | NPC1KDM4ESMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL27895327 | 0.76 | MAOB (0.62) | KDM4ESMN1; SMN2ALDH1A1MAPK1HRH3 | |
| SCHEMBL30344808 | 0.76 | KDM4E (0.62) | NPC1KDM4ESMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL4639358 | 0.76 | S1PR1 (0.48) | SMN1; SMN2ALDH1A1MCL1MEN1KMT2A | |
| SCHEMBL10207398 | 0.75 | ALDH1A1 (0.68) | NPC1KDM4ESMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL12661571 | 0.73 | NPC1 (0.49) | NPC1KDM4ESMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL12454064 | 0.72 | HRH3 (0.72) | HRH3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773768-B1 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2018-08-22 | — | — | EP | claimed |
| US-8367667-B2 | Pyrrole derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2013-02-05 | — | — | US | claimed |
| US-20110301128-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2011-12-08 | — | — | US | claimed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | US | claimed |
| EP-1773768-A4 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2008-08-06 | — | — | EP | claimed |
| EP-1773768-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-18 | — | — | EP | claimed |
| WO-2006012642-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-02 | — | — | WO | claimed |
| EP-1773768-B1 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2018-08-22 | — | — | EP | disclosed |
| US-8367667-B2 | Pyrrole derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20110301128-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2011-12-08 | — | — | US | disclosed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | 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 (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-20110301128-A1 | Pyrrole Derivatives As Pharmaceutical Agents | PRLHR, PTGDR, TACR1 | NPC1 1687/4885KDM4E 4268/4885SMN1; SMN2 3536/4885 |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | PRLHR, PTGDR, TACR1 | NPC1 1687/4885KDM4E 4268/4885SMN1; SMN2 3536/4885 |
“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.