Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10318265 | 0.87 | ALDH1A1 (0.50) | GAALMNAALDH1A1 | |
| SCHEMBL24829712 | 0.87 | HDAC1 (0.48) | RAB9AGAACA12CA1CA2 | |
| SCHEMBL31114069 | 0.84 | NPC1 (0.52) | RAB9ANPC1SMN1; SMN2GAATP53 | |
| SCHEMBL753526 | 0.84 | PTGER4 (0.57) | SMN1; SMN2GAACA12CA1CA2 | |
| SCHEMBL1008601 | 0.84 | MAPT (0.48) | RAB9ANPC1SMN1; SMN2CA12CA1 | |
| SCHEMBL17047601 | 0.83 | HSD17B2 (0.46) | RAB9ANPC1SMN1; SMN2CA12CA1 | |
| SCHEMBL9104625 | 0.83 | CA12 (0.44) | RAB9ANPC1SMN1; SMN2NLRP3CA12 | |
| SCHEMBL2283371 | 0.83 | PPARG (0.51) | RAB9ANPC1SMN1; SMN2GAALMNA | |
| SCHEMBL4568009 | 0.82 | NLRP3 (0.46) | SMN1; SMN2NLRP3CA12CA1CA9 | |
| SCHEMBL11982645 | 0.81 | HDAC1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109666023-A | A kind of Preparation Method And Their Intermediate of nilotinib | 上海复星星泰医药科技有限公司 | 2019-04-23 | — | — | CN | disclosed |