Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | DNTT | P04053 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9567758 | 0.79 | SPHK1 (0.36) | SPHK1ALDH1A1TRPV1 | |
| Trifluoroacetic Acid SCHEMBL8715062 | 0.76 | S1PR1 (0.34) | EPHX2 | |
| SCHEMBL8719623 | 0.74 | SPHK1 (0.38) | ALOX5SPHK1ALDH1A1 | |
| SCHEMBL9241715 | 0.74 | SPHK1 (0.38) | ALOX5SPHK1ALDH1A1 | |
| SCHEMBL9241716 | 0.74 | SPHK1 (0.38) | ALOX5SPHK1ALDH1A1 | |
| SCHEMBL9567697 | 0.73 | TRPV1 (0.38) | ALOX5CYP3A4CYP2C9CYP2C19EPHX2 | |
| SCHEMBL9567695 | 0.73 | TRPV1 (0.38) | ALOX5CYP3A4CYP2C9CYP2C19EPHX2 | |
| SCHEMBL9249387 | 0.72 | GBA1 (0.35) | TSHRHTTSMN1; SMN2ALOX5SPHK1 | |
| SCHEMBL8714764 | 0.72 | GBA1 (0.35) | TSHRHTTSMN1; SMN2ALOX5SPHK1 | |
| SCHEMBL9567756 | 0.65 | SPHK1 (0.50) | SPHK1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0524439-A1 | Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-01-27 | — | — | EP | claimed |
| US-5719291-A | FUNGICIDE | HOFFMANN-LA ROCHE INC. (US) | 1998-02-17 | — | — | US | disclosed |
| US-5449785-A | Fungicides with triazole groups | HOFFMANN-LA ROCHE INC. (US) | 1995-09-12 | — | — | US | disclosed |
| EP-0524439-A1 | Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-01-27 | — | — | EP | disclosed |