Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | ACR | P10323 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL351791 | 0.89 | VCAM1 (0.50) | VCAM1ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL13152525 | 0.89 | VCAM1 (0.39) | VCAM1ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL15139324 | 0.84 | ALDH1A1 (0.41) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL3214507 | 0.82 | KDM4E (0.51) | ALDH1A1MAPTHPGDKDM4EHSD17B10 | |
| SCHEMBL14236511 | 0.78 | — | — | |
| SCHEMBL3118623 | 0.74 | KMT2A (0.49) | VCAM1ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL13619445 | 0.73 | VCAM1 (0.42) | VCAM1ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL17204265 | 0.71 | MAPT (0.47) | VCAM1ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL16254547 | 0.70 | CA12 (0.62) | VCAM1ALDH1A1MAPTHPGDKDM4E | |
| SCHEMBL28072772 | 0.69 | VCAM1 (0.53) | VCAM1ALDH1A1MAPTHPGDKMT2A |
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-2119703-A1 | NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE | Santen Pharmaceutical Co., Ltd (JP) | 2009-11-18 | — | — | EP | disclosed |