Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | MYC | P01106 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29698615 | 0.88 | MYC (0.49) | ALDH1A1KDM4EHSD17B10HPGDMYC | |
| SCHEMBL6120416 | 0.85 | TSHR (0.44) | ALDH1A1KDM4EHSD17B10HPGDMYC | |
| SCHEMBL6207135 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KDM4EHSD17B10HPGDMYC | |
| SCHEMBL2425674 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EHSD17B10HPGDMYC | |
| SCHEMBL18158039 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4EHSD17B10HPGDLMNA | |
| SCHEMBL23748794 | 0.77 | KDM4C (0.41) | ALDH1A1KDM4EHSD17B10HPGDMYC | |
| SCHEMBL27884930 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDKMT2AAKR1C3POLB | |
| SCHEMBL11583627 | 0.76 | KDM4E (0.45) | ALDH1A1KDM4EHSD17B10HPGDMYC | |
| SCHEMBL29357094 | 0.76 | ALDH1A1 (0.65) | ALDH1A1KDM4EHSD17B10HPGDMYC | |
| SCHEMBL56188 | 0.76 | ALDH1A1 (0.65) | ALDH1A1KDM4EHSD17B10HPGDMYC |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562915-A1 | FARNESOID X RECEPTOR AGONISTS | SmithKline Beecham Corporation (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004048349-A1 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-06-10 | — | — | WO | disclosed |