Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.54 |
| ▸ | DRD2 | P14416 | 4/20 | 0.54 |
| ▸ | HTR2A | P28223 | 3/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.49 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7989840 | 0.77 | HTR1A (0.55) | HTR1ADRD2HTR2AABCB11ALDH1A1 | |
| SCHEMBL26492991 | 0.74 | HTR1A (0.65) | HTR1ADRD2HTR2AABCB11ALDH1A1 | |
| SCHEMBL26108581 | 0.74 | HTR1A (0.65) | HTR1ADRD2HTR2AABCB11ALDH1A1 | |
| SCHEMBL10753571 | 0.74 | HTR1A (0.54) | HTR1ADRD2HTR2AABCB11ALDH1A1 | |
| Hydrochloric Acid SCHEMBL26108377 | 0.73 | DRD2 (0.63) | HTR1ADRD2HTR2AALDH1A1DRD3 | |
| SCHEMBL9197820 | 0.71 | DRD2 (0.61) | HTR1ADRD2HTR2ADRD4 | |
| SCHEMBL10784615 | 0.71 | DRD2 (0.70) | HTR1ADRD2HTR2ADRD4 | |
| SCHEMBL9589567 | 0.71 | DRD2 (0.67) | HTR1ADRD2DRD4 | |
| SCHEMBL10784007 | 0.71 | DRD2 (0.67) | HTR1ADRD2DRD4 | |
| SCHEMBL10788382 | 0.71 | DRD2 (0.74) | HTR1ADRD2HTR2ADRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6284775-B1 | PSYCHOLOGICAL DISORDERS | AVENTIS PHARMACEUTICALS INC. | 2001-09-04 | — | — | US | disclosed |
| US-5371087-A | Antipsychotic, analgesics, anticonvulsant and anxiolytic agent | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-12-06 | — | — | US | disclosed |
| US-5229388-A | 3-[4-(1-substituted-4-piperazinyl)butyl]-4-thiazolidinone and related compounds | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-07-20 | — | — | US | disclosed |