Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15166678 | 0.79 | LMNA (0.46) | LMNACYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15170632 | 0.78 | LMNA (0.45) | LMNATSHRALDH1A1KDM4EMAPT | |
| SCHEMBL15170544 | 0.77 | LMNA (0.44) | LMNACYP2D6 | |
| SCHEMBL15170646 | 0.76 | LMNA (0.43) | LMNACYP2C9ALDH1A1KDM4EMAPT | |
| SCHEMBL15170648 | 0.75 | LMNA (0.42) | LMNACYP2D6 | |
| SCHEMBL23472180 | 0.75 | ALDH1A1 (0.43) | LMNACYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16281536 | 0.73 | LMNA (0.52) | LMNACYP2D6TSHRALDH1A1KDM4E | |
| SCHEMBL16281522 | 0.73 | LMNA (0.41) | LMNACYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16281525 | 0.72 | LMNA (0.39) | LMNACYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15170462 | 0.67 | LMNA (0.40) | LMNACYP2D6CYP1A2ALDH1A1KDM4E |
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-2810944-A1 | HETEROCYCLIC COMPOUND HAVING ANTI-HIV ACTIVITY | Toyama Chemical Co., Ltd. (JP) | 2014-12-10 | — | — | EP | disclosed |