Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 3/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8904267 | 0.88 | CYP3A4 (0.41) | CYP3A4AKR1B1VNN1NPC1RAB9A | |
| SCHEMBL8905896 | 0.87 | PTGS2 (0.41) | CYP3A4AKR1B1VNN1HRH3ALDH1A1 | |
| SCHEMBL8904844 | 0.87 | AKR1B1 (0.43) | CYP3A4AKR1B1ALDH1A1LMNA | |
| SCHEMBL8906158 | 0.83 | SMN1; SMN2 (0.44) | CYP3A4AKR1B1NPC1RAB9AALDH1A1 | |
| SCHEMBL8904081 | 0.83 | CXCL8 (0.40) | CYP3A4AKR1B1NPC1RAB9AALDH1A1 | |
| SCHEMBL9030256 | 0.81 | CXCL8 (0.40) | CYP3A4AKR1B1RAB9ALMNA | |
| SCHEMBL8905800 | 0.81 | AKR1B1 (0.54) | CYP3A4AKR1B1NPC1RAB9AALDH1A1 | |
| SCHEMBL9031112 | 0.81 | CXCL8 (0.40) | CYP3A4AKR1B1HRH3NPC1RAB9A | |
| SCHEMBL9030680 | 0.81 | CYP3A4 (0.37) | CYP3A4AKR1B1VNN1HRH3THRB | |
| SCHEMBL8904190 | 0.80 | AKR1B1 (0.41) | CYP3A4AKR1B1HRH3NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5622948-A | ANALGESICS | SYNTEX (U.S.A.) INC. (US) | 1997-04-22 | — | — | US | disclosed |
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |