Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.46 |
| ▸ | CA1 | P00915 | 6/20 | 0.46 |
| ▸ | CA2 | P00918 | 6/20 | 0.46 |
| ▸ | CA9 | Q16790 | 6/20 | 0.46 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | STK17B | O94768 | 1/20 | 0.41 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.41 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8650087 | 0.96 | CA12 (0.44) | CA12CA1CA2CA9SMPD1 | |
| SCHEMBL7403280 | 0.89 | CA12 (0.45) | CA12CA1CA2CA9SMPD1 | |
| SCHEMBL7401023 | 0.81 | SMPD1 (0.45) | CA12CA1CA2CA9SMPD1 | |
| SCHEMBL28442714 | 0.79 | CA12 (0.47) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL28897428 | 0.79 | CA12 (0.47) | CA12CA1CA2CA9GAA | |
| SCHEMBL2411780 | 0.79 | NPSR1 (0.44) | CA1CA2MEN1GAAKMT2A | |
| SCHEMBL8378941 | 0.78 | GABRA5 (0.46) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL7453137 | 0.77 | LMNA (0.46) | SMPD1MAPTHTT | |
| SCHEMBL9111613 | 0.77 | ATM (0.37) | CA1CA2SMPD1MEN1KMT2A | |
| SCHEMBL31152712 | 0.77 | CA12 (0.41) | CA12CA1CA2CA9MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828737-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5710159-A | IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-20 | — | — | US | disclosed |
| WO-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | disclosed |