Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 5/20 | 0.42 |
| ▸ | HTR1B | P28222 | 5/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9216130 | 0.90 | HTR1A (0.47) | HTR1DHTR1BHTR1ADRD2DRD4 | |
| SCHEMBL9214068 | 0.86 | HTR1D (0.42) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| SCHEMBL9206755 | 0.82 | HTR1D (0.43) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 | |
| SCHEMBL9216571 | 0.81 | PDE4D (0.49) | HTR1DHTR1BHTR1ADRD2DRD3 | |
| SCHEMBL9215340 | 0.80 | HTR1A (0.47) | HTR1DHTR1BHTR1AMAPTDRD2 | |
| Hydrochloric Acid SCHEMBL9740012 | 0.80 | PDE4D (0.48) | HTR1DHTR1BHTR1ADRD2DRD3 | |
| Water SCHEMBL9739470 | 0.79 | HTR1A (0.45) | HTR1DHTR1BHTR1ADRD2DRD4 | |
| Hydrochloric Acid SCHEMBL9212006 | 0.79 | HTR1A (0.46) | HTR1DHTR1BHTR1AMAPTDRD2 | |
| SCHEMBL9214106 | 0.77 | HTR1A (0.61) | HTR1ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL9210128 | 0.76 | HTR1A (0.45) | HTR1DHTR1BHTR1ACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |