Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.61 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.50 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11267918 | 0.85 | AKR1C3 (0.72) | AKR1C3AKR1C2PTGS2TUBB1CNR2 | |
| SCHEMBL11255524 | 0.84 | AKR1C3 (0.74) | AKR1C3AKR1C2PTGS2TUBB1PTGS1 | |
| SCHEMBL11157875 | 0.81 | PTGS2 (0.77) | AKR1C3AKR1C2PTGS2CNR2PTGS1 | |
| SCHEMBL29481380 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2TUBB1CNR2 | |
| SCHEMBL11037919 | 0.78 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2TUBB1CNR2 | |
| SCHEMBL11262826 | 0.78 | AKR1C3 (0.78) | AKR1C3AKR1C2PTGS2TUBB1CNR2 | |
| SCHEMBL10788768 | 0.78 | AKR1C3 (0.78) | AKR1C3AKR1C2PTGS2TUBB1PTGS1 | |
| Acetic Acid SCHEMBL11761270 | 0.77 | AKR1C3 (0.93) | AKR1C3AKR1C2PTGS2TUBB1CNR2 | |
| SCHEMBL11269695 | 0.77 | AKR1C3 (0.40) | AKR1C3AKR1C2PTGS2 | |
| Methane SCHEMBL11312150 | 0.76 | KDM4E (0.47) | CNR2 |
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-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |