Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL218508 | 0.84 | TRPA1 (0.52) | TRPA1ATMP2RX7CYP1A2CYP2A6 | |
| SCHEMBL30834716 | 0.84 | TRPA1 (0.52) | TRPA1ATMP2RX7CYP1A2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL15862222 | 0.82 | TRPA1 (0.50) | TRPA1ATMP2RX7CYP1A2CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL22444763 | 0.82 | TRPA1 (0.50) | TRPA1ATMP2RX7CYP1A2CYP2A6 | |
| Hydrogen Sulfide SCHEMBL1538405 | 0.82 | TRPA1 (0.50) | TRPA1ATMP2RX7CYP1A2CYP2A6 | |
| SCHEMBL19838629 | 0.79 | TRPA1 (0.48) | TRPA1ATMP2RX7CYP1A2CYP2A6 | |
| SCHEMBL284410 | 0.77 | TSHR (0.47) | TRPA1ATMP2RX7CYP1A2CYP2A6 | |
| SCHEMBL1402232 | 0.76 | — | — | |
| SCHEMBL9701669 | 0.75 | TSHR (0.45) | TRPA1ATMP2RX7CYP1A2CYP2A6 | |
| SCHEMBL5610009 | 0.74 | ALDH1A1 (0.46) | CYP2A6SMN1; SMN2NPC1CASP3RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1028945-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | Amgen Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024404-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | AMGEN INC. (US) | 1999-05-20 | — | — | WO | disclosed |