Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 3/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 4/20 | 0.42 |
| ▸ | MMP2 | P08253 | 4/20 | 0.42 |
| ▸ | MMP3 | P08254 | 4/20 | 0.42 |
| ▸ | PDE4A | P27815 | 4/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.42 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6220362 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CNR2BCHEACHECA12 | |
| SCHEMBL1307134 | 0.82 | CA2 (0.48) | ALDH1A1CNR2BCHEACHECA12 | |
| SCHEMBL186606 | 0.81 | CA12 (0.43) | ALDH1A1CNR2CA12CYP3A4CA9 | |
| SCHEMBL29956354 | 0.81 | MCHR1 (0.44) | ALDH1A1CNR2CA12CYP3A4CA9 | |
| SCHEMBL31106597 | 0.80 | MCHR1 (0.47) | ALDH1A1CNR2CA12CYP3A4ATM | |
| SCHEMBL31106589 | 0.80 | MCHR1 (0.47) | ALDH1A1CNR2CA12CYP3A4ATM | |
| SCHEMBL9404416 | 0.77 | CA12 (0.49) | ALDH1A1CA12CYP3A4CA9MMP1 | |
| SCHEMBL10420695 | 0.77 | MMP2 (0.55) | ALDH1A1CNR2MMP1MMP2MMP3 | |
| SCHEMBL11354319 | 0.76 | GAA (0.39) | ALDH1A1CA12CYP3A4CA9MMP1 | |
| SCHEMBL10420884 | 0.76 | MMP2 (0.54) | ALDH1A1CNR2MMP1MMP2MMP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178981-B1 | SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS | ORTHO MCNEIL PHARM INC (US) | 2003-06-25 | — | — | EP | disclosed |
| US-6562843-B1 | For treating disorders ameliorated by a reduction in TNF-alpha production and/or p38 activity, and are therefore useful for treating inflammatory disorders such as rheumatoid arthritis, as well as AIDS-related disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-05-13 | — | — | US | disclosed |
| EP-1178981-A1 | SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000069847-A1 | SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-11-23 | — | — | WO | disclosed |