Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.37 |
| ▸ | PPARG | P37231 | 9/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL363623 | 0.89 | GPBAR1 (0.39) | KDRGPBAR1PPARGMRGPRX4AKR1C3 | |
| SCHEMBL365756 | 0.85 | ADRB3 (0.38) | GPBAR1PPARGMRGPRX4AKR1C3NPC1 | |
| SCHEMBL362457 | 0.82 | GPBAR1 (0.48) | GPBAR1MGAMGAASIMGAM2 | |
| SCHEMBL363394 | 0.82 | MRGPRX4 (0.40) | KDRGPBAR1PPARGMRGPRX4P2RX3 | |
| SCHEMBL363688 | 0.80 | GPBAR1 (0.38) | GPBAR1MRGPRX4POLB | |
| SCHEMBL362281 | 0.79 | GPBAR1 (0.48) | GPBAR1PPARG | |
| SCHEMBL363628 | 0.78 | ADRB1 (0.35) | KDRGPBAR1POLBFLT1P2RX3 | |
| SCHEMBL363444 | 0.78 | GPBAR1 (0.55) | GPBAR1PPARGMGAMGAASI | |
| SCHEMBL361680 | 0.77 | GPBAR1 (0.47) | GPBAR1POLBMGAMGAASI | |
| SCHEMBL363638 | 0.76 | GPBAR1 (0.41) | GPBAR1AKR1C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |