Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 7/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 3/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 3/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27206772 | 0.76 | HSP90AA1 (0.45) | AKR1C2AKR1C3RXRARXRBGABRP | |
| SCHEMBL5734753 | 0.73 | HSD17B10 (0.46) | AKR1C2AKR1C3GABRPGABRDGABRA1 | |
| SCHEMBL7980315 | 0.73 | ESR1 (0.41) | ADRB3ADRB1AKR1C2AKR1C3PPARA | |
| SCHEMBL200520 | 0.73 | CYP4F2 (0.44) | PPARAMCL1RARBRARARARG | |
| SCHEMBL27761967 | 0.71 | ALDH1A1 (0.39) | ADRB3ADRB1PPARAPPARGKAT8 | |
| SCHEMBL3385017 | 0.70 | ALDH1A1 (0.52) | AKR1C2AKR1C3PPARAMCL1PPARG | |
| SCHEMBL13825900 | 0.70 | FFAR1 (0.47) | PPARAMCL1PPARGKAT8 | |
| SCHEMBL15344555 | 0.70 | PPARA (0.53) | PPARAMCL1RARBRARARARG | |
| SCHEMBL27730616 | 0.70 | PTGS2 (0.62) | ADRB3AKR1C2AKR1C3RARB | |
| SCHEMBL11055698 | 0.69 | ALDH1A1 (0.50) | AKR1C2AKR1C3PPARAMCL1PPARG |
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-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |