Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11830486 | 0.93 | TRPA1 (0.35) | TRPA1P2RX4ATM | |
| Urea SCHEMBL8887503 | 0.93 | TRPA1 (0.40) | TRPA1ATMIKBKB | |
| SCHEMBL218834 | 0.86 | TRPA1 (0.36) | TRPA1CYP1A2CYP2D6ATM | |
| SCHEMBL9268154 | 0.74 | KDM4E (0.33) | TRPA1P2RX4ATM | |
| SCHEMBL5944362 | 0.71 | ALDH1A1 (0.44) | TRPA1HSD17B10 | |
| SCHEMBL8804196 | 0.70 | TRPA1 (0.36) | TRPA1 | |
| SCHEMBL6173883 | 0.69 | TRPA1 (0.39) | TRPA1ATMHSD17B10 | |
| Urea SCHEMBL8887498 | 0.67 | KDM4E (0.35) | TRPA1ATM | |
| SCHEMBL11830480 | 0.67 | P2RX4 (0.33) | P2RX4 | |
| SCHEMBL10483802 | 0.67 | MYC (0.42) | HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5449674-A | Prostaglandin E2 inhibitors | G. D. SEARLE & CO. (US) | 1995-09-12 | — | — | US | disclosed |
| EP-0613472-A1 | 10-ACYL-DIBENZ(B,F) (1,4)-OXAZEPINES AND THEIR THIAZEPINES ANALO GUES USEFUL AS PROSTAGLANDIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1994-09-07 | — | — | EP | disclosed |
| WO-1993009104-A1 | 10-ACYL-DIBENZ(B,F) (1,4)-OXAZEPINES AND THEIR THIAZEPINES ANALO GUES USEFUL AS PROSTAGLANDIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1993-05-13 | — | — | WO | disclosed |