Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 4/20 | 0.48 |
| ▸ | HTR1F | P30939 | 2/20 | 0.48 |
| ▸ | USP7 | Q93009 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 7/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | DRD3 | P35462 | 4/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | HTR7 | P34969 | 2/20 | 0.45 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL13525309 | 0.84 | HTR2A (0.56) | DRD2SLC6A4ACHEHTR1AHTR1F | |
| SCHEMBL7964524 | 0.83 | DRD2 (0.75) | DRD2SLC6A4ACHEHTR1AHTR2A | |
| SCHEMBL1940311 | 0.82 | ACHE (0.49) | DRD2SLC6A4ACHECYP1A2 | |
| SCHEMBL1940065 | 0.82 | ACHE (0.49) | DRD2SLC6A4ACHECYP1A2 | |
| SCHEMBL15487431 | 0.80 | MAPK14 (0.49) | DRD2SLC6A4ACHEUSP7 | |
| SCHEMBL10637706 | 0.80 | DRD2 (0.55) | DRD2HTR1AHTR2AHTR7 | |
| Hydrochloric Acid SCHEMBL15486032 | 0.79 | MAPK14 (0.48) | DRD2SLC6A4ACHEUSP7 | |
| Hydrochloric Acid SCHEMBL10638213 | 0.78 | DRD2 (0.54) | DRD2HTR1AHTR2AHTR7 | |
| SCHEMBL10634285 | 0.76 | HTR2A (0.55) | DRD2SLC6A4HTR1AHTR1FHTR2A | |
| SCHEMBL7131833 | 0.74 | DRD2 (0.54) | DRD2HTR1AHTR2AKCNH2DRD3 |
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-1107753-A1 | MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5HT2 RECEPTORS | Advanced Medicine, Inc. (US) | 2001-06-20 | — | — | EP | disclosed |
| WO-1999063996-A1 | MULTIVALENT AGONISTS, PARTIAL AGONISTS, INVERSE AGONISTS AND ANTAGONISTS OF THE 5HT2 RECEPTORS | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | WO | disclosed |