Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7700798 | 1.00 | CYP3A4 (0.33) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL3885730 | 0.84 | CYP3A4 (0.31) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL13839564 | 0.84 | CYP3A4 (0.31) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL30040429 | 0.84 | HIF1A (0.36) | — | |
| SCHEMBL7697005 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL3890589 | 0.75 | MEN1 (0.42) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL7703195 | 0.75 | MEN1 (0.42) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL12760667 | 0.75 | CYP3A4 (0.45) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL11876407 | 0.72 | CYP3A4 (0.33) | CYP3A4MEN1ALOX15KMT2AALDH1A1 | |
| SCHEMBL3408019 | 0.70 | HIF1A (0.45) | ALOX15ALDH1A1LMNATDP1 |
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-0983221-B1 | CYCLOHEXANEDIOL DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2002-04-03 | — | — | EP | disclosed |
| EP-0983221-A1 | CYCLOHEXANEDIOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-03-08 | — | — | EP | disclosed |
| US-5969190-A | TREATING HYPERPROLIFERATIVE SKIN DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1999-10-19 | — | — | US | disclosed |
| WO-1998052894-A1 | CYCLOHEXANEDIOL DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1998-11-26 | — | — | WO | disclosed |