Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.68 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.68 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 6/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.47 |
| ▸ | AR | P10275 | 2/20 | 0.47 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11827602 | 0.96 | AKR1C3 (0.67) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| Acetic Acid SCHEMBL11761270 | 0.83 | AKR1C3 (0.93) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| SCHEMBL29481380 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| SCHEMBL11037919 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| SCHEMBL11615785 | 0.81 | AKR1C3 (0.73) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| SCHEMBL10788768 | 0.80 | AKR1C3 (0.78) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| SCHEMBL3810903 | 0.80 | AKR1C3 (0.70) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| Hydrochloric Acid SCHEMBL2579895 | 0.79 | AKR1C3 (0.69) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| SCHEMBL11255524 | 0.79 | AKR1C3 (0.74) | AKR1C3AKR1C2TUBB1PPARGPTGS1 | |
| SCHEMBL11262826 | 0.78 | AKR1C3 (0.78) | AKR1C3AKR1C2TUBB1PPARGPTGS1 |
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-4513004-A | Indole derivatives, processes for their preparation, and their use as medicaments | TROPONWERKE GMBH & CO. KG (DE) | 1985-04-23 | — | — | US | disclosed |