Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 8/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | AADAC | P22760 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL2746717 | 0.82 | ALDH1A1 (0.51) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL27775918 | 0.82 | NPC1 (0.50) | ALDH1A1LMNATSHRHTTSMN1; SMN2 | |
| SCHEMBL31572516 | 0.82 | AR (0.50) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL429387 | 0.82 | AR (0.50) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL17356427 | 0.80 | KCNN4 (0.46) | ARALDH1A1LMNAKCNH2 | |
| SCHEMBL11039348 | 0.79 | DTYMK (0.48) | ALDH1A1LMNATSHRSMN1; SMN2 | |
| SCHEMBL31694580 | 0.79 | AR (0.47) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL28941164 | 0.78 | AR (0.48) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL3964966 | 0.78 | AR (0.47) | ARCYP3A4CES2ABCB11ALDH1A1 | |
| SCHEMBL8577525 | 0.78 | KMT2A (0.44) | CYP3A4ALDH1A1LMNAALOX15SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1806342-B1 | 3-CARBAMOYL-2-PYRIDONE DERIVATIVE | SHIONOGI & CO (JP) | 2013-04-17 | — | — | EP | disclosed |