Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.51 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.51 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | REN | P00797 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1915701 | 0.89 | CA2 (0.52) | ITGA4ITGB7KLK5CA2CA9 | |
| SCHEMBL1915705 | 0.89 | CA2 (0.52) | ITGA4ITGB7KLK5CA2CA9 | |
| SCHEMBL27886794 | 0.87 | CA2 (0.46) | ITGA4ITGB7KLK5CA2CA9 | |
| SCHEMBL1519833 | 0.87 | CPA1 (0.60) | ITGA4ITGB7KLK5ATMCYP1A2 | |
| SCHEMBL1519838 | 0.87 | CPA1 (0.60) | ITGA4ITGB7KLK5ATMCYP1A2 | |
| SCHEMBL1916688 | 0.87 | CPA1 (0.60) | ITGA4ITGB7KLK5ATMCYP1A2 | |
| SCHEMBL7506768 | 0.86 | KMT2A (0.54) | ABCB1ATMCYP1A2POLBCPA1 | |
| SCHEMBL9755831 | 0.86 | KMT2A (0.54) | ABCB1ATMCYP1A2POLBCPA1 | |
| SCHEMBL9574213 | 0.82 | ABCB1 (0.57) | ABCB1CYP1A2CTSBCPA1CPB1 | |
| SCHEMBL8439144 | 0.82 | CYP1A2 (0.55) | ITGA4ITGB7ATMCYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5250517-A | Hypotensive and cardiotonic agents; cardiac insufficiency | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | disclosed |