Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | PDE5A | O76074 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | VNN1 | O95497 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2909195 | 0.89 | ABCB1 (0.52) | ABCB1ABCG2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2907254 | 0.78 | ABCB1 (0.56) | ABCB1ABCG2CLK4ALDH1A1PDE5A | |
| SCHEMBL12923327 | 0.76 | HPGD (0.52) | ABCB1ABCC1ABCG2CYP1A2CYP3A4 | |
| SCHEMBL13188295 | 0.76 | ABCB1 (0.48) | ABCB1ABCC1ABCG2CYP1A2CYP3A4 | |
| SCHEMBL12923516 | 0.76 | HPGD (0.47) | ABCB1ABCC1ABCG2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL984560 | 0.76 | HPGD (0.51) | ABCB1ABCC1ABCG2CYP1A2CYP3A4 | |
| SCHEMBL3721157 | 0.76 | ABCB1 (0.48) | ABCB1ABCC1ABCG2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL985536 | 0.75 | HPGD (0.47) | ABCB1ABCC1ABCG2CYP1A2CYP3A4 | |
| SCHEMBL2905528 | 0.75 | ABCG2 (0.44) | ABCB1ABCC1ABCG2ALDH1A1KMT2A | |
| SCHEMBL13309776 | 0.74 | CYP3A4 (0.67) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2217606-A1 | SOLUBILIZED THIAZOLOPYRIDINES | Sirtris Pharmaceuticals, Inc. (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009061453-A1 | SOLUBILIZED THIAZOLOPYRIDINES | SIRTRIS PHARMACEUTICALS, INC. (US) | 2009-05-14 | — | — | WO | disclosed |