Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8904844 | 0.84 | AKR1B1 (0.43) | CYP3A4AKR1B1KMT2AALDH1A1HPGD | |
| SCHEMBL8905896 | 0.82 | PTGS2 (0.41) | CYP3A4AKR1B1HRH3ALDH1A1HPGD | |
| SCHEMBL8905529 | 0.81 | CYP3A4 (0.53) | CYP3A4AKR1B1HRH3ALDH1A1VNN1 | |
| SCHEMBL8904324 | 0.79 | AKR1B1 (0.39) | CYP3A4AKR1B1KMT2AALDH1A1HPGD | |
| SCHEMBL8905800 | 0.78 | AKR1B1 (0.54) | CYP3A4AKR1B1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL8905930 | 0.77 | AKR1B1 (0.41) | CYP3A4AKR1B1HRH3KMT2AHPGD | |
| SCHEMBL8904190 | 0.77 | AKR1B1 (0.41) | CYP3A4AKR1B1HRH3KMT2AALDH1A1 | |
| SCHEMBL8904295 | 0.77 | CXCL8 (0.39) | CYP3A4AKR1B1HPGD | |
| SCHEMBL8904267 | 0.77 | CYP3A4 (0.41) | CYP3A4AKR1B1KMT2AHPGDSMN1; SMN2 | |
| SCHEMBL8905687 | 0.76 | ADORA2A (0.34) | AKR1B1KMT2AALDH1A1HPGDPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0714895-A1 | Pyrrole derivatives | F. Hoffmann-La Roche AG (CH) | 1996-06-05 | — | — | EP | disclosed |