Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 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 | |
|---|---|---|---|---|
| SCHEMBL13284947 | 0.92 | PTGS1 (0.48) | PTGS1GABRA5ALDH1A1NR1H4KDM4E | |
| SCHEMBL12406914 | 0.82 | PTGS1 (0.59) | PTGS1GABRA5ALDH1A1NR1H4KDM4E | |
| SCHEMBL13285213 | 0.82 | PTGS1 (0.49) | PTGS1GABRA5ALDH1A1NR1H4KDM4E | |
| SCHEMBL2565750 | 0.77 | PTGS1 (0.68) | PTGS1GABRA5ALDH1A1KDM4E | |
| SCHEMBL10127870 | 0.76 | GABRA5 (0.49) | GABRA5ALDH1A1KDM4EAPOBEC3G | |
| SCHEMBL13285291 | 0.76 | PTGS1 (0.55) | PTGS1ALDH1A1KDM4E | |
| SCHEMBL18472810 | 0.74 | PTGS1 (0.49) | PTGS1GABRA5ALDH1A1KDM4EAPOBEC3G | |
| SCHEMBL13285289 | 0.73 | PTGS1 (0.45) | PTGS1ALDH1A1KDM4EAPOBEC3G | |
| SCHEMBL13285212 | 0.71 | PTGS1 (0.46) | PTGS1ALDH1A1KDM4EAPOBEC3G | |
| SCHEMBL2565963 | 0.71 | PPARA (0.47) | PTGS1ALDH1A1NR1H4PPARD |
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-8354398-B2 | Substituted isoxazole compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-15 | — | — | US | disclosed |
| WO-2010085581-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-29 | — | — | WO | disclosed |