Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.54 |
| ▸ | PAK4 | O96013 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3585583 | 0.91 | ROCK2 (0.55) | ROCK2PAK4CYP1A2CYP3A4TSHR | |
| SCHEMBL3583464 | 0.90 | ROCK2 (0.58) | ROCK2PAK4CLK4KDM4EABCG2 | |
| SCHEMBL3581521 | 0.89 | ROCK2 (0.58) | ROCK2PAK4CLK4KDM4EABCG2 | |
| SCHEMBL6694965 | 0.88 | MAPT (0.60) | ROCK2CYP1A2CYP3A4TSHRUSP2 | |
| SCHEMBL5736843 | 0.85 | ROCK2 (0.56) | ROCK2PAK4CLK4MAPTABCG2 | |
| Hydrochloric Acid SCHEMBL3581146 | 0.85 | ROCK2 (0.56) | ROCK2PAK4CLK4MAPTABCG2 | |
| SCHEMBL3584500 | 0.84 | PAK4 (0.51) | ROCK2PAK4CLK4ABCG2TGFBR1 | |
| SCHEMBL3581577 | 0.84 | TGFBR1 (0.54) | ROCK2PAK4LMNACLK4MAPT | |
| SCHEMBL14473992 | 0.83 | CYP1A2 (0.57) | CYP1A2CYP3A4TSHRUSP2ALDH1A1 | |
| SCHEMBL14474125 | 0.83 | ABCG2 (0.65) | CYP1A2CYP3A4TSHRUSP2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065392-A1 | CONDENSED PYRIDINES AND PYRIMIDINES AND THEIR USE AS ALK-5 RECEPTOR LIGANDS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-08-05 | — | — | WO | disclosed |