Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 3/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11576248 | 0.89 | HRH3 (0.42) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11576268 | 0.83 | HTR2A (0.37) | HTR3AHTR1AHTR2AHTR2CHTR2B | |
| SCHEMBL11577388 | 0.81 | MAOB (0.38) | — | |
| Hydrochloric Acid SCHEMBL11577946 | 0.81 | MAOB (0.37) | — | |
| SCHEMBL11575657 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL11576273 | 0.76 | NQO2 (0.40) | HTR2ADRD2DRD4 | |
| SCHEMBL11577625 | 0.76 | HTR1A (0.39) | HTR3AHTR1AHTR2AHTR2CHTR2B | |
| SCHEMBL11576126 | 0.75 | NQO2 (0.39) | HTR1AHTR2ADRD2DRD4DRD3 | |
| SCHEMBL11682864 | 0.72 | DRD2 (0.41) | HTR2CDRD2DRD1DRD4 | |
| Bromide SCHEMBL11574653 | 0.71 | DRD2 (0.40) | HTR2CDRD2DRD1DRD4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4118572-A | CNS DEPRESSANTS, NEUROLEPTIC AGENTS, SCHIZOPHRENIA, TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1978-10-03 | — | — | US | disclosed |
| US-4105664-A | Dibenz[b,f]oxepin derivatives | HOFFMANN-LA ROCHE INC. (US) | 1978-08-08 | — | — | US | disclosed |
| US-4100173-A | DEPRESSANTS, SCHIZOPHRENIA, TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4091023-A | ANTISCHIZOPHRENIA AGENTS, TRANQUILIZERS | HOFFMANN-LA ROCHE INC. (US) | 1978-05-23 | — | — | US | disclosed |
| US-4032525-A | CNS DEPRESSANTS, NEUROLEPTICS | HOFFMANN-LA ROCHE INC. (US) | 1977-06-28 | — | — | US | disclosed |