Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.38 |
| ▸ | CA2 | P00918 | 10/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7315192 | 0.84 | S1PR4 (0.39) | CA1CA2HDAC1LTA4H | |
| SCHEMBL7308299 | 0.80 | CTSK (0.41) | HDAC1LTA4HCTSK | |
| SCHEMBL7315272 | 0.79 | FBP1 (0.39) | HDAC1 | |
| SCHEMBL7311698 | 0.76 | HDAC1 (0.44) | CA1CA2HDAC1LTA4H | |
| SCHEMBL16397093 | 0.73 | AKR1B1 (0.47) | GPR17 | |
| SCHEMBL17648807 | 0.73 | GPR17 (0.39) | CA1CA2GPR17 | |
| SCHEMBL7310790 | 0.71 | CA1 (0.38) | CA1CA2HDAC1LTA4H | |
| SCHEMBL7317224 | 0.70 | ESR1 (0.35) | — | |
| SCHEMBL158734 | 0.70 | SIGMAR1 (0.67) | HDAC1LTA4H | |
| SCHEMBL20600227 | 0.69 | TDP1 (0.33) | CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE31617-E | ANTICOAGULANTS; HYPOTENSIVE AND BRONCHODILATOR AGENTS | BRISTOL-MYERS COMPANY (US) | 1984-06-26 | — | — | US | disclosed |
| US-3932407-A | BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTICOAGULANTS | BRISTOL-MYERS COMPANY (US) | 1976-01-13 | — | — | US | disclosed |