Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16658358 | 0.91 | HTT (0.50) | CA1CA2CA9HTTCYP2C19 | |
| SCHEMBL16679886 | 0.87 | HTT (0.49) | CA1CA2CA9HTTCYP2C19 | |
| SCHEMBL455814 | 0.84 | LIPG (0.43) | CA1CA2CA9HTTSMN1; SMN2 | |
| SCHEMBL2355046 | 0.84 | CA2 (0.70) | CA1CA2CA9HPGDALDH1A1 | |
| SCHEMBL16650820 | 0.83 | HPGD (0.58) | HTTCYP2C19CYP3A4KMT2AHPGD | |
| SCHEMBL1697087 | 0.82 | CA1 (0.43) | CA1CA2CA9LIPG | |
| SCHEMBL2799955 | 0.81 | CA1 (0.45) | CA1CA2CA9HTTHPGD | |
| SCHEMBL31259610 | 0.81 | HDAC2 (0.56) | CA1CA2CA9HTTKMT2A | |
| SCHEMBL26922431 | 0.80 | CA1 (0.56) | CA1CA2CA9HPGDALDH1A1 | |
| SCHEMBL22967275 | 0.80 | ROCK1 (0.41) | CA1CA2CA9HTTSMN1; 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-3063143-B1 | AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2018-05-16 | — | — | EP | disclosed |