Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PARG | Q86W56 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10769588 | 0.81 | CA1 (0.61) | ALDH1A1SMN1; SMN2MAPTCA1CA2 | |
| SCHEMBL8478768 | 0.80 | MAPT (0.61) | ALDH1A1SMN1; SMN2MAPTLMNAKDM4E | |
| SCHEMBL4050348 | 0.79 | SMN1; SMN2 (0.68) | ALDH1A1SMN1; SMN2CA1CA2CA12 | |
| SCHEMBL16060627 | 0.77 | FFAR4 (0.57) | ALDH1A1SMN1; SMN2MAPTCA1CA2 | |
| SCHEMBL20988466 | 0.77 | PGR (0.56) | ALDH1A1SMN1; SMN2MAPTLMNAKDM4E | |
| SCHEMBL12169369 | 0.77 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPTCA1CA2 | |
| SCHEMBL4041550 | 0.75 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2MAPTCYP2C9MAPK1 | |
| SCHEMBL23345377 | 0.75 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MAPTCA1CA2 | |
| SCHEMBL15840367 | 0.75 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MAPTCA1CA2 | |
| SCHEMBL634085 | 0.75 | ALDH1A1 (0.79) | ALDH1A1SMN1; SMN2MAPTCA1CA2 |
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-1012142-B1 | 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2004-08-11 | — | — | EP | disclosed |
| EP-1140941-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039131-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |
| US-6046217-A | TREATING AN INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMPRISING ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A NONTOXIC 3-PHENYL SUBSTITUTED PYRIDINES | MERCK FROSST CANADA & CO. (CA) | 2000-04-04 | — | — | US | disclosed |