Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 3/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL364490 | 0.89 | KMT2A (0.39) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL364506 | 0.87 | NAMPT (0.46) | KMT2AMEN1KDM4ENPC1RAB9A | |
| SCHEMBL1390642 | 0.87 | NAMPT (0.46) | KMT2AMEN1KDM4ENPC1RAB9A | |
| SCHEMBL14965693 | 0.77 | GPBAR1 (0.35) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL362061 | 0.76 | GPBAR1 (0.46) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL362062 | 0.76 | GPBAR1 (0.46) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL362134 | 0.76 | GPBAR1 (0.46) | KMT2AMEN1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1390285 | 0.73 | GPBAR1 (0.53) | KMT2AMEN1GPBAR1KDM4EALDH1A1 | |
| SCHEMBL363503 | 0.73 | GPBAR1 (0.53) | KMT2AMEN1GPBAR1KDM4EALDH1A1 | |
| SCHEMBL1390580 | 0.72 | GPBAR1 (0.52) | KMT2AMEN1GPBAR1KDM4EALDH1A1 |
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-2780330-A1 | 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013072265-A1 | 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-23 | — | — | WO | disclosed |