Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | SRC | P12931 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22890563 | 0.88 | CYP3A4 (0.45) | CYP3A4ACHEALDH1A1HPGDSRC | |
| SCHEMBL1515913 | 0.82 | ALDH1A1 (0.50) | CYP3A4ACHEALDH1A1HPGDPTGES | |
| SCHEMBL9100361 | 0.80 | ALDH1A1 (0.50) | CYP3A4ACHEALDH1A1HPGDPOLB | |
| SCHEMBL22032247 | 0.79 | SRC (0.42) | CYP3A4ACHEALDH1A1HPGDSRC | |
| SCHEMBL1036031 | 0.79 | CYP3A4 (0.59) | CYP3A4ACHEALDH1A1HPGDPOLB | |
| SCHEMBL879308 | 0.78 | ALDH1A1 (0.48) | CYP3A4ACHEALDH1A1HPGDPOLB | |
| SCHEMBL14893350 | 0.78 | ALDH1A1 (0.48) | CYP3A4ACHEALDH1A1HPGDPTGES | |
| SCHEMBL3308517 | 0.78 | ALDH1A1 (0.44) | CYP3A4ACHEALDH1A1HPGDSRC | |
| SCHEMBL29017440 | 0.77 | SRC (0.46) | CYP3A4ALDH1A1HPGDSRCUSP2 | |
| SCHEMBL70139 | 0.77 | CYP3A4 (0.57) | CYP3A4ACHEALDH1A1HPGDPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009149795-A2 | HETEROCYCLIC CYCLOPROPYL-SUBSTITUTED FXR BINDING COMPOUNDS | PHENEX PHARMACEUTICALS AG (DE) | 2009-12-17 | — | — | WO | disclosed |
| EP-2128158-A1 | Heterocyclic cyclopropyl-substituted FXR binding compounds | Phenex Pharmaceuticals AG (DE) | 2009-12-02 | — | — | EP | disclosed |