Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CPA1 | P15085 | 4/20 | 0.53 |
| ▸ | CPA3 | P15088 | 3/20 | 0.53 |
| ▸ | CPB1 | P15086 | 1/20 | 0.53 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.49 |
| ▸ | ALPI | P09923 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.47 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27663350 | 0.85 | CPA1 (0.72) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL5607914 | 0.85 | CYP1A2 (0.59) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL5052372 | 0.85 | CYP1A2 (0.68) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL16588647 | 0.82 | CYP1A2 (0.55) | CYP1A2CPA1CPA3CPB1CPB2 | |
| Hydrochloric Acid SCHEMBL3666595 | 0.81 | CYP1A2 (0.53) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL1059561 | 0.79 | CYP1A2 (0.61) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL7353741 | 0.79 | CYP1A2 (0.61) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL19532713 | 0.79 | CYP1A2 (0.61) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL6609906 | 0.79 | CYP1A2 (0.61) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL26954314 | 0.78 | MMP1 (0.52) | CYP1A2CPA1CPA3CPB1CPB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5767088-A | USEFUL FOR TREATING PAIN, INFLAMMATION, SMOOTH MUSCLE CONTRACTION AND INDUCING VASODILATION | WARNER-LAMBERT COMPANY (US) | 1998-06-16 | — | — | US | disclosed |
| EP-0755404-A1 | TACHYKININ ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1997-01-29 | — | — | EP | disclosed |