Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093348 | 1.00 | CES2 (0.43) | CES2CES1CYP1A2CYP2C19MAPT | |
| SCHEMBL7780820 | 1.00 | CES2 (0.43) | CES2CES1CYP1A2CYP2C19MAPT | |
| SCHEMBL7780821 | 1.00 | CES2 (0.43) | CES2CES1CYP1A2CYP2C19MAPT | |
| SCHEMBL9878252 | 0.83 | CES2 (0.47) | CES2CES1CYP1A2CYP2C19LMNA | |
| SCHEMBL6501393 | 0.83 | CES2 (0.47) | CES2CES1CYP1A2CYP2C19LMNA | |
| SCHEMBL2924907 | 0.81 | LTA4H (0.53) | CES2CES1CYP1A2CYP2C19 | |
| SCHEMBL1150862 | 0.81 | LTA4H (0.53) | CES2CES1CYP1A2CYP2C19 | |
| SCHEMBL2924909 | 0.81 | LTA4H (0.53) | CES2CES1CYP1A2CYP2C19 | |
| SCHEMBL6050656 | 0.81 | CES2 (0.67) | CES2CES1MAPTLMNAPLK1 | |
| SCHEMBL10968606 | 0.80 | CES2 (0.38) | CES2CES1CYP1A2CYP2C19MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0808304-B1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-12-27 | — | — | EP | disclosed |
| US-5916905-A | ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS | G. D. SEARLE & CO. (US) | 1999-06-29 | — | — | US | disclosed |
| US-5686470-A | 2, 3-substituted pyridines for the treatment of inflammation | WEIER RICHARD M (US) | 1997-11-11 | — | — | US | disclosed |