Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 7/20 | 0.59 |
| ▸ | HTR2C | P28335 | 4/20 | 0.59 |
| ▸ | HTR7 | P34969 | 4/20 | 0.59 |
| ▸ | HTR6 | P50406 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7444169 | 1.00 | HTR2A (0.59) | HTR2AHTR2CHTR7HTR6KDM4E | |
| SCHEMBL7444179 | 1.00 | HTR2A (0.59) | HTR2AHTR2CHTR7HTR6KDM4E | |
| SCHEMBL8642581 | 0.89 | SLC18A3 (0.62) | HTR2AHTR2CKDM4ECYP1A2CYP3A4 | |
| SCHEMBL1582470 | 0.81 | HTR2A (0.87) | HTR2AHTR2CHTR7HTR6KDM4E | |
| SCHEMBL8646880 | 0.81 | KDM2B (0.53) | HTR2AHTR2CHTR7HTR6 | |
| SCHEMBL467405 | 0.81 | KDM2B (0.53) | HTR2AHTR2CHTR7HTR6 | |
| SCHEMBL467403 | 0.81 | KDM2B (0.53) | HTR2AHTR2CHTR7HTR6 | |
| SCHEMBL467404 | 0.81 | KDM2B (0.53) | HTR2AHTR2CHTR7HTR6 | |
| Hydrochloric Acid SCHEMBL7418228 | 0.80 | HTR2A (0.85) | HTR2AHTR2CHTR7HTR6KDM4E | |
| SCHEMBL8641073 | 0.77 | HTR2A (0.58) | HTR2AHTR2CHTR7HTR6KDM4E |
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-5731307-A | Neuroleptic 2,7-disubtituted perhydro-1h-pyrido 1, 2-A!pyrazines | PFIZER, INC. (US) | 1998-03-24 | — | — | US | claimed |
| WO-1996010570-A1 | NEUROLEPTIC 2,7-DISUBSTITUTED PERHYDRO-1H-PYRIDO[1,2-a]PYRAZINES | PFIZER INC. (US) | 1996-04-11 | — | — | WO | claimed |