Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | VNN1 | O95497 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 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 | |
|---|---|---|---|---|
| SCHEMBL8905529 | 0.88 | CYP3A4 (0.53) | CYP3A4AKR1B1VNN1NPC1RAB9A | |
| SCHEMBL8904844 | 0.88 | AKR1B1 (0.43) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 | |
| SCHEMBL8905800 | 0.86 | AKR1B1 (0.54) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 | |
| SCHEMBL8904081 | 0.86 | CXCL8 (0.40) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 | |
| SCHEMBL8904324 | 0.83 | AKR1B1 (0.39) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 | |
| SCHEMBL8905930 | 0.81 | AKR1B1 (0.41) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 | |
| SCHEMBL8905896 | 0.81 | PTGS2 (0.41) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 | |
| SCHEMBL8904190 | 0.81 | AKR1B1 (0.41) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 | |
| SCHEMBL8904821 | 0.80 | CXCL8 (0.41) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 | |
| SCHEMBL8904611 | 0.79 | CXCL8 (0.40) | CYP3A4PTGS1PTGS2CXCL8AKR1B1 |
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 |