Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | ALPL | P05186 | 1/20 | 0.52 |
| ▸ | ALPG | P10696 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 4/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19908694 | 0.82 | HPGD (0.50) | ALDH1A1HPGDRECQLCYP2C9CYP2C19 | |
| SCHEMBL23469137 | 0.80 | ALPL (0.43) | ALDH1A1HPGDKDM4ERECQLALPL | |
| SCHEMBL30480874 | 0.79 | KDM4E (0.45) | ALDH1A1KDM4EALOX15HTTMAPT | |
| SCHEMBL4287374 | 0.79 | KDM4E (0.45) | ALDH1A1KDM4EALOX15HTTMAPT | |
| SCHEMBL24316518 | 0.79 | MAPT (0.40) | ALDH1A1HPGDKDM4EALOX15MAPT | |
| SCHEMBL30480856 | 0.79 | MAPT (0.40) | ALDH1A1HPGDKDM4EALOX15MAPT | |
| SCHEMBL30480851 | 0.76 | OTUD7B (0.39) | HPGDHTTTSHR | |
| SCHEMBL24316517 | 0.75 | RARA (0.50) | ALDH1A1KDM4ECYP2C9ALOX15CYP2C19 | |
| SCHEMBL30480840 | 0.75 | RARA (0.50) | ALDH1A1KDM4ECYP2C9ALOX15CYP2C19 | |
| SCHEMBL19908754 | 0.71 | ALPL (0.51) | ALDH1A1HPGDKDM4ERECQLALPL |
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-3287441-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |