Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13461858 | 0.81 | LMNA (0.41) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 | |
| SCHEMBL11822275 | 0.80 | TP53 (0.44) | CYP1A2CYP3A4HTR1AHTR3ATP53 | |
| SCHEMBL25447136 | 0.79 | CYP1A2 (0.39) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 | |
| SCHEMBL2023201 | 0.78 | TP53 (0.48) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 | |
| SCHEMBL13678418 | 0.76 | CYP1A2 (0.37) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 | |
| SCHEMBL4127172 | 0.75 | ITGB2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9TP53 | |
| SCHEMBL23912730 | 0.74 | NFE2L2 (0.36) | CYP1A2CYP3A4HTR1AHTR3ATP53 | |
| SCHEMBL12828097 | 0.74 | CYP3A4 (0.36) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 | |
| SCHEMBL2019539 | 0.73 | HSD17B10 (0.43) | CYP1A2CYP3A4TP53ALOX15LMNA | |
| SCHEMBL11961093 | 0.73 | PDE7A (0.54) | CYP1A2CYP3A4HTR1ACYP2D6CYP2C9 |
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-3094325-B1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-10-13 | — | — | EP | disclosed |