Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4639253 | 0.84 | NPC1 (0.53) | NPC1SMN1; SMN2CYP2C19MEN1KMT2A | |
| SCHEMBL4638584 | 0.83 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2CYP2C19CYP3A4 | |
| SCHEMBL10883924 | 0.82 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP2C19CYP3A4 | |
| SCHEMBL9094611 | 0.80 | MAOB (0.54) | NPC1RAB9ACYP3A4MEN1KMT2A | |
| SCHEMBL31172147 | 0.80 | MAOB (0.54) | NPC1RAB9ACYP3A4MEN1KMT2A | |
| SCHEMBL31172139 | 0.76 | MAOB (0.57) | CYP3A4ALDH1A1MAOBTP53 | |
| SCHEMBL8690 | 0.75 | ALDH1A1 (0.54) | NPC1RAB9ASMN1; SMN2CYP2C19CYP3A4 | |
| SCHEMBL4639987 | 0.75 | MAOB (0.64) | CYP2C19ALDH1A1CYP2D6CYP1A2MAOB | |
| SCHEMBL5058658 | 0.75 | ALDH1A1 (0.56) | NPC1RAB9ASMN1; SMN2CYP2C19CYP3A4 | |
| SCHEMBL12978933 | 0.75 | ALDH1A1 (0.56) | NPC1RAB9ASMN1; SMN2CYP2C19CYP3A4 |
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 14 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 |
| 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 |
| EP-1844020-B1 | HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS | EXELIXIS INC (US) | 2017-09-06 | — | — | 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 |
| EP-1773768-A4 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1844020-A1 | HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS | Exelixis, Inc. (US) | 2007-10-17 | — | — | EP | disclosed |
| EP-1773768-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006076202-A1 | HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS | EXELIXIS, INC. (US) | 2006-07-20 | — | — | WO | disclosed |
| WO-2006012642-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-02 | — | — | 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 (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 1687/4885RAB9A 2543/4885SMN1; SMN2 3536/4885 |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | PRLHR, PTGDR, TACR1 | NPC1 1687/4885RAB9A 2543/4885SMN1; 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.