Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | DRD3 | P35462 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SAT1 | P21673 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 8/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5907660 | 0.81 | HPGD (0.47) | KMT2AHPGDCYP3A4CYP2C19RAB9A | |
| SCHEMBL14748218 | 0.75 | EPHX1 (0.47) | KMT2AHPGDCYP3A4CYP2C19RAB9A | |
| SCHEMBL5907681 | 0.74 | HPGD (0.53) | KMT2AHPGDCYP3A4CYP2C19RAB9A | |
| SCHEMBL5907615 | 0.74 | HPGD (0.57) | KMT2AHPGDCYP3A4CYP2C19RAB9A | |
| SCHEMBL14748252 | 0.73 | HPGD (0.55) | KMT2AHPGDCYP3A4CYP2C19RAB9A | |
| SCHEMBL5907626 | 0.73 | HPGD (0.55) | KMT2AHPGDCYP3A4CYP2C19RAB9A | |
| SCHEMBL5392967 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5394488 | 0.70 | — | — | |
| SCHEMBL2454551 | 0.69 | KMT2A (0.42) | HTR2ADRD3KMT2AHPGDCYP3A4 | |
| SCHEMBL2456246 | 0.69 | KMT2A (0.42) | HTR2ADRD3KMT2AHPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010031735-A1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |