Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| SCHEMBL15581446 | 0.83 | NOTUM (0.44) | NOTUMPPARAGABRA5GABRB2HSD17B10 | |
| SCHEMBL9548278 | 0.82 | PPARA (0.52) | NOTUMPPARACYP2E1CYP2A6CYP2C9 | |
| SCHEMBL23174846 | 0.81 | PPARA (0.48) | PPARAKDM4ESMN1; SMN2MAPTGAA | |
| SCHEMBL2121795 | 0.76 | — | — | |
| SCHEMBL4167077 | 0.75 | PPARA (0.42) | NOTUMPPARACYP2E1CYP2A6CYP2C9 | |
| SCHEMBL3823349 | 0.75 | NOTUM (0.47) | NOTUMCYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL17611595 | 0.75 | MAPT (0.37) | PPARAGABRA5GABRB2HSD17B10KDM4E | |
| SCHEMBL13308736 | 0.74 | PPARA (0.48) | PPARASMN1; SMN2MAPTGAAVHL | |
| Hydrochloric Acid SCHEMBL9548291 | 0.74 | PPARA (0.41) | NOTUMPPARACYP2E1CYP2A6CYP2C9 | |
| SCHEMBL9548321 | 0.74 | PPARA (0.42) | NOTUMPPARASMN1; SMN2ALDH1A1HPGD |
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-5273989-A | 3,5-disubstituted 2-isoxazolines and isoxazoles, agents containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |
| EP-0451790-A1 | 3,5-disubstituted 2-isoxazolines and isoxazoles, process for their preparation, medicines containing them and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-16 | — | — | EP | disclosed |