Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MME | P08473 | 4/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11829051 | 0.86 | PTGS2 (0.46) | AKR1C3AKR1C2MMEACEPTGS2 | |
| SCHEMBL11806793 | 0.84 | CYP2A6 (0.46) | AKR1C3AKR1C2CYP2A6NPC1RAB9A | |
| SCHEMBL11827232 | 0.83 | ALDH1A1 (0.43) | AKR1C3AKR1C2MMEACEPTGS2 | |
| SCHEMBL11827700 | 0.81 | FFAR1 (0.46) | MMEACEPTGS2MEN1KMT2A | |
| SCHEMBL6632227 | 0.80 | TRPA1 (0.55) | TRPA1LMNA | |
| SCHEMBL5475206 | 0.80 | TRPA1 (0.55) | TRPA1LMNA | |
| SCHEMBL6628032 | 0.80 | TRPA1 (0.55) | TRPA1LMNA | |
| SCHEMBL10981141 | 0.79 | PTGS2 (0.66) | AKR1C3AKR1C2CYP2A6PTGS2PTGS1 | |
| SCHEMBL11835910 | 0.79 | ADAMTS4 (0.55) | AKR1C3AKR1C2PTGS2MEN1KMT2A | |
| SCHEMBL11829363 | 0.78 | USP5 (0.44) | AKR1C3AKR1C2NPC1RAB9APTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3966801-A | ANTIINFLAMMATORY AGENTS | WILLIAM H. RORER, INC. (US) | 1976-06-29 | — | — | US | disclosed |