Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29809260 | 0.89 | KMT2A (0.44) | KMT2AMAPTESR1ESR2ALDH1A1 | |
| SCHEMBL26059368 | 0.84 | CYP3A4 (0.53) | CYP3A4PARP1HSD17B1HSD17B2MAPT | |
| SCHEMBL6227938 | 0.81 | CYP3A4 (0.39) | CYP3A4PARP1HSD17B1HSD17B2KMT2A | |
| SCHEMBL22323537 | 0.80 | RXRA (0.50) | KMT2AMAPTKIF11ALDH1A1 | |
| SCHEMBL112703 | 0.80 | MAPT (0.55) | CYP3A4PARP1KMT2AMAPTKIF11 | |
| SCHEMBL26059953 | 0.79 | CYP3A4 (0.44) | CYP3A4PARP1HSD17B1HSD17B2MAPT | |
| SCHEMBL7247284 | 0.78 | L3MBTL1 (0.47) | MAPTALDH1A1LMNAKDM4E | |
| SCHEMBL26060005 | 0.78 | CYP3A4 (0.39) | CYP3A4HSD17B1HSD17B2KIF11ESR1 | |
| SCHEMBL27640014 | 0.77 | MAPT (0.62) | CYP3A4PARP1HSD17B1HSD17B2KMT2A | |
| SCHEMBL29472192 | 0.76 | ALDH1A1 (0.59) | CYP3A4HSD17B1HSD17B2KIF11ESR1 |
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-1123918-A1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |