Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13841508 | 1.00 | ALDH1A1 (0.34) | ALDH1A1LMNATP53CYP3A4HPGD | |
| SCHEMBL3768071 | 1.00 | ALDH1A1 (0.34) | ALDH1A1LMNATP53CYP3A4HPGD | |
| SCHEMBL7351659 | 1.00 | ALDH1A1 (0.34) | ALDH1A1LMNATP53CYP3A4HPGD | |
| SCHEMBL7351648 | 1.00 | ALDH1A1 (0.34) | ALDH1A1LMNATP53CYP3A4HPGD | |
| SCHEMBL25140702 | 0.73 | — | — | |
| SCHEMBL7506865 | 0.71 | — | — | |
| SCHEMBL7508694 | 0.71 | — | — | |
| SCHEMBL14435544 | 0.70 | — | — | |
| SCHEMBL3387123 | 0.70 | — | — | |
| SCHEMBL13309236 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5329042-A | Cyclohexene derivative and method of producing the same | JAPAN TOBACCO INC. (JP) | 1994-07-12 | — | — | US | claimed |
| EP-0536426-A1 | NOVEL CYCLOHEXENE DERIVATIVE AND PRODUCTION THEREOF | JAPAN TOBACCO INC. (JP) | 1993-04-14 | — | — | EP | claimed |
| US-5329042-A | Cyclohexene derivative and method of producing the same | JAPAN TOBACCO INC. (JP) | 1994-07-12 | — | — | US | disclosed |
| EP-0536426-A1 | NOVEL CYCLOHEXENE DERIVATIVE AND PRODUCTION THEREOF | JAPAN TOBACCO INC. (JP) | 1993-04-14 | — | — | EP | disclosed |