Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 4/20 | 0.53 |
| ▸ | HTR7 | P34969 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | HTR6 | P50406 | 3/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 3/20 | 0.50 |
| ▸ | CASP7 | P55210 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6783114 | 0.83 | ALDH1A1 (0.54) | TAAR1ALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL6787637 | 0.83 | HTR7 (0.54) | TAAR1ALDH1A1KDM4EHTR1AHTR7 | |
| SCHEMBL4582832 | 0.83 | TAAR1 (0.49) | TAAR1ALDH1A1KDM4ECYP1A2CASP1 | |
| SCHEMBL4582837 | 0.83 | HTR1A (0.54) | TAAR1ALDH1A1KDM4EHTR1AHTR7 | |
| SCHEMBL9400849 | 0.83 | HTR3A (0.54) | TAAR1ALDH1A1KDM4EHTR1AHTR7 | |
| SCHEMBL13606214 | 0.81 | NPC1 (0.54) | ALDH1A1KDM4EHPGDCYP1A2HSD17B10 | |
| Hydrochloric Acid SCHEMBL20293649 | 0.81 | HTR3A (0.52) | TAAR1ALDH1A1KDM4EHTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL20293632 | 0.81 | HTR7 (0.52) | TAAR1ALDH1A1KDM4EHTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL6786943 | 0.81 | HTR7 (0.52) | TAAR1ALDH1A1KDM4EHTR1AHTR7 | |
| SCHEMBL4582030 | 0.81 | TAAR1 (0.48) | TAAR1ALDH1A1KDM4EHTR1AHTR7 |
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 7 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 |
| US-4818756-A | CENTRAL NERVOUS SYSTEM DISORDERS | TROPONWERKE GMBH & CO., KG (DE) | 1989-04-04 | — | — | 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 |