Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | SMYD3 | Q9H7B4 | 16/20 | 0.52 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5774940 | 0.89 | EPHX2 (0.58) | EPHX2SMYD3AHRHTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL8141533 | 0.86 | EPHX2 (0.56) | EPHX2SMYD3HTR1ADRD2HTR2A | |
| SCHEMBL7985233 | 0.82 | SMYD3 (0.52) | EPHX2SMYD3AHR | |
| SCHEMBL1304506 | 0.81 | EPHX2 (0.59) | EPHX2SMYD3AHRHTR1ADRD2 | |
| SCHEMBL4304359 | 0.81 | EPHX2 (0.62) | EPHX2SMYD3AHRHTR1ADRD2 | |
| SCHEMBL3389331 | 0.80 | EPHX2 (0.61) | EPHX2SMYD3AHRHTR1ADRD2 | |
| SCHEMBL6225349 | 0.80 | EPHX2 (0.57) | EPHX2SMYD3AHRHTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL7036110 | 0.79 | EPHX2 (0.56) | EPHX2SMYD3AHRHTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL7036109 | 0.79 | EPHX2 (0.56) | EPHX2SMYD3AHRHTR1ADRD2 | |
| SCHEMBL1557916 | 0.79 | SMYD3 (0.54) | EPHX2SMYD3AHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0281309-B1 | PIPERAZINYL-HETEROCYCLIC COMPOUNDS | PFIZER INC. (US) | 1991-12-27 | — | — | EP | disclosed |
| US-4883795-A | Piperazinyl-heterocyclic compounds | PFIZER INC. (US) | 1989-11-28 | — | — | US | disclosed |
| US-4831031-A | Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity | PFIZER INC. (US) | 1989-05-16 | — | — | US | disclosed |
| EP-0281309-A1 | Piperazinyl-heterocyclic compounds | PFIZER INC. (US) | 1988-09-07 | — | — | EP | disclosed |