Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407939 | 0.87 | SMPD1 (0.42) | SMPD1POLBMCL1LMNA | |
| SCHEMBL7401084 | 0.82 | SMPD1 (0.50) | SMPD1POLBMEN1KMT2AMCL1 | |
| SCHEMBL7401023 | 0.81 | SMPD1 (0.45) | SMPD1POLBMEN1KMT2AMLYCD | |
| SCHEMBL7982063 | 0.77 | ITGB3 (0.42) | SMPD1 | |
| SCHEMBL7980585 | 0.74 | ITGB3 (0.45) | SMPD1 | |
| SCHEMBL6111432 | 0.73 | ITGB3 (0.46) | — | |
| SCHEMBL7406914 | 0.72 | SMPD1 (0.40) | SMPD1POLBLMNA | |
| SCHEMBL8532598 | 0.72 | POLB (0.54) | POLBMEN1KMT2AMLYCDCYP1A2 | |
| SCHEMBL7979125 | 0.71 | ITGB3 (0.46) | — | |
| SCHEMBL8620461 | 0.68 | CTSK (0.40) | SMPD1POLBMEN1KMT2AMLYCD |
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-1996037492-A1 | ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-28 | — | — | WO | disclosed |