Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7401084 | 0.83 | SMPD1 (0.50) | SMPD1KDM4EMAPTPOLBCYP2C19 | |
| SCHEMBL7400566 | 0.81 | CA12 (0.46) | SMPD1NPSR1MAPTCYP2C19CA12 | |
| SCHEMBL8620461 | 0.81 | CTSK (0.40) | SMPD1KDM4ENPSR1MAPTPOLB | |
| SCHEMBL7403157 | 0.81 | SMPD1 (0.43) | SMPD1KDM4EMAPTPOLBCYP2C19 | |
| SCHEMBL7403280 | 0.80 | CA12 (0.45) | SMPD1CYP2C19CYP3A4CA12CA1 | |
| SCHEMBL7403152 | 0.79 | ITGB3 (0.45) | SMPD1POLB | |
| SCHEMBL8650087 | 0.78 | CA12 (0.44) | SMPD1NPSR1CYP2C19CA12CA1 | |
| SCHEMBL1784924 | 0.74 | CTSK (0.51) | KDM4ENPSR1MAPTCYP2C19CYP1A2 | |
| SCHEMBL8532598 | 0.74 | POLB (0.54) | KDM4EMAPTPOLBCYP2C19CYP1A2 | |
| SCHEMBL7400723 | 0.73 | SYK (0.50) | NPSR1MAPTPOLBMEN1KMT2A |
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-0828737-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | disclosed |