Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.72 |
| ▸ | CA12 | O43570 | 6/20 | 0.70 |
| ▸ | CA1 | P00915 | 6/20 | 0.70 |
| ▸ | CA2 | P00918 | 6/20 | 0.70 |
| ▸ | CA9 | Q16790 | 6/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.68 |
| ▸ | MEN1 | O00255 | 6/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | PTGES | O14684 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | CASP7 | P55210 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | GFER | P55789 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL17689212 | 0.85 | MEN1 (0.72) | CYP2C9CA12CA1CA2CA9 | |
| SCHEMBL22542789 | 0.84 | CYP2C9 (0.74) | CYP2C9CA12CA1CA2CA9 | |
| SCHEMBL22543110 | 0.84 | CYP2C9 (0.77) | CYP2C9CA12CA1CA2CA9 | |
| SCHEMBL1898306 | 0.83 | HSD17B10 (0.86) | CYP2C9KMT2AMAPTPTGESALDH1A1 | |
| SCHEMBL28844483 | 0.82 | TACR3 (0.86) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL13957864 | 0.81 | HSD17B10 (0.69) | CYP2C9CA12CA1CA2CA9 | |
| SCHEMBL14970875 | 0.81 | CYP3A4 (1.00) | CYP2C9CA12CA1CA2CA9 | |
| SCHEMBL1899177 | 0.81 | STAT3 (0.86) | CYP2C9CA12CA1CA2CA9 | |
| SCHEMBL13912444 | 0.81 | CYP3A4 (0.77) | CYP2C9CA12CA1CA2CA9 | |
| SCHEMBL1898505 | 0.81 | STAT3 (0.83) | CYP2C9CA12CA1CA2CA9 |
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-102417479-A | STAT3 small molecular selective inhibitor and preparation method and application thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2012-04-18 | — | — | CN | disclosed |