Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CPT2 | P23786 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL377962 | 0.89 | — | — | |
| SCHEMBL23877897 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11FFAR1CPT2 | |
| SCHEMBL652605 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11FFAR1CPT2 | |
| SCHEMBL5907144 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11FFAR1CPT2 | |
| SCHEMBL5967984 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11FFAR1CPT2 | |
| SCHEMBL28675207 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11FFAR1CPT2 | |
| SCHEMBL14369450 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11FFAR1CPT2 | |
| SCHEMBL10898446 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11FFAR1CPT2 | |
| SCHEMBL21410066 | 0.87 | ALDH1A1 (0.50) | ALDH1A1CYP4F2CYP4A11FFAR1CPT2 | |
| SCHEMBL156683 | 0.87 | — | — |
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-1056716-B1 | CYCLOHEXANEDIOLE DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2002-12-11 | — | — | EP | disclosed |
| US-6184422-B1 | TREATMENT AND PREVENTION OF HYPERPROLIFERATIVE SKIN DISEASES; REVERSING CONDITIONS ASSOCIATED WITH PHOTODAMAGE; ANTITUMOR, -CARCINOGENIC AGENTS; PSORIASIS; DISORDERS OF NEOPLASTIC DISEASES; KERATINIZATION/KERATOSIS; ACNE; SEBORRHEA | HOFFMAN-LA ROCHE INC. | 2001-02-06 | — | — | US | disclosed |
| EP-1056716-A1 | CYCLOHEXANEDIOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043646-A1 | CYCLOHEXANEDIOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-09-02 | — | — | WO | disclosed |