Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.43 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL5083326 | 0.78 | GPR35 (0.62) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL5471880 | 0.74 | VCAM1 (1.00) | VCAM1ALDH1A1L3MBTL1 | |
| SCHEMBL12087105 | 0.73 | VCAM1 (0.53) | VCAM1ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL22116211 | 0.71 | ALDH1A1 (0.76) | VCAM1ALDH1A1KMT2AGAA | |
| SCHEMBL10801450 | 0.71 | CA9 (0.49) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL11484396 | 0.71 | VCAM1 (0.65) | VCAM1ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL9775523 | 0.70 | HTT (0.64) | ALDH1A1HPGDMEN1KMT2AL3MBTL1 | |
| SCHEMBL11640314 | 0.70 | VCAM1 (0.57) | VCAM1ALDH1A1HPGDALDH3A1MEN1 | |
| SCHEMBL7164375 | 0.70 | VCAM1 (0.53) | VCAM1ALDH1A1HPGDALDH3A1GAA | |
| SCHEMBL17744715 | 0.70 | GPR35 (0.50) | ALDH1A1HPGDMEN1KMT2AGAA |
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-1293213-A1 | PREVENTIVES/REMEDIES FOR POSTOPERATIVE STRESS | JAPAN TOBACCO INC. (JP) | 2003-03-19 | — | — | EP | disclosed |