Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7087792 | 0.80 | CES2 (0.53) | CYP1A2CYP2C19DAOCES2CES1 | |
| SCHEMBL10968608 | 0.74 | DAO (0.36) | CYP1A2CYP2C19DAOCES2CES1 | |
| SCHEMBL9878252 | 0.73 | CES2 (0.47) | CYP1A2CYP2C19CES2CES1POLB | |
| SCHEMBL6501393 | 0.73 | CES2 (0.47) | CYP1A2CYP2C19CES2CES1POLB | |
| SCHEMBL8094069 | 0.72 | DAO (0.38) | CYP1A2CYP2C19DAOPOLBMEN1 | |
| SCHEMBL2924909 | 0.71 | LTA4H (0.53) | CYP1A2CYP2C19CES2CES1POLB | |
| SCHEMBL1150862 | 0.71 | LTA4H (0.53) | CYP1A2CYP2C19CES2CES1POLB | |
| SCHEMBL2924907 | 0.71 | LTA4H (0.53) | CYP1A2CYP2C19CES2CES1POLB | |
| SCHEMBL8093348 | 0.70 | CES2 (0.43) | CYP1A2CYP2C19CES2CES1ALDH1A1 | |
| SCHEMBL7780821 | 0.70 | CES2 (0.43) | CYP1A2CYP2C19CES2CES1ALDH1A1 |
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 |