Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.51 |
| ▸ | HTR2A | P28223 | 5/20 | 0.48 |
| ▸ | DRD3 | P35462 | 4/20 | 0.48 |
| ▸ | DRD2 | P14416 | 4/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.48 |
| ▸ | HTR7 | P34969 | 3/20 | 0.47 |
| ▸ | HTR6 | P50406 | 3/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9401043 | 0.84 | HTR1A (0.52) | HTR1AHTR2ADRD3DRD2DRD4 | |
| SCHEMBL9480350 | 0.84 | HTR1A (0.48) | HTR1AHTR2ADRD2HTR7 | |
| SCHEMBL9400929 | 0.83 | MAPT (0.54) | HTR1AABCC1ALDH1A1TSHR | |
| SCHEMBL9400975 | 0.77 | TSHR (0.71) | DRD3DRD2HTR7ALDH1A1ADRA2A | |
| SCHEMBL14768647 | 0.77 | ABCC1 (0.54) | HTR1AHTR2ADRD3DRD2DRD4 | |
| SCHEMBL9400938 | 0.77 | PDE4A (0.59) | HTR1ADRD3DRD2DRD4ALDH1A1 | |
| SCHEMBL9400926 | 0.75 | TSHR (0.74) | HTR1ADRD3DRD2HTR7ALDH1A1 | |
| SCHEMBL9760417 | 0.74 | ALDH1A1 (0.47) | HTR1ADRD3DRD2HTR7ALDH1A1 | |
| SCHEMBL5037066 | 0.73 | TNF (0.59) | ALDH1A1TNFTSHR | |
| SCHEMBL14560541 | 0.73 | PGR (0.67) | ALDH1A1TNF |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5314884-A | Antidepressants, anxiolytic agents | TROPONWERKE GMBH & CO. (DE) | 1994-05-24 | — | — | US | disclosed |
| US-5187276-A | Anxiolytics, neuroleptics, antidepressants, and nootropic agents | TROPONWERKE GMBH & CO. KG. (DE) | 1993-02-16 | — | — | US | disclosed |
| US-4988809-A | CENTRAL NERVOUS SYSTEM | TROPONWERKE GMBH & CO., KG (DE) | 1991-01-29 | — | — | US | disclosed |
| EP-0129128-B1 | 2-PYRIMIDINYL-1-PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | Troponwerke GmbH & Co. KG (DE) | 1990-11-22 | — | — | EP | disclosed |
| US-4937343-A | NEUROLEPTICS OR ANTIDEPRESSANTS | TROPONWERKE GMBH & CO. KG (DE) | 1990-06-26 | — | — | US | disclosed |
| EP-0129128-A2 | 2-Pyrimidinyl-1-piperazine derivatives, process for their preparation and medicines containing them | Troponwerke GmbH & Co. KG (DE) | 1984-12-27 | — | — | EP | disclosed |