Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL9213653 | 0.85 | ALDH1A1 (0.45) | ALDH1A1TSHRABCB1SLC6A4HTR2A | |
| SCHEMBL9212261 | 0.85 | ABCB1 (0.49) | ALDH1A1TSHRABCB1SLC6A4HTR2A | |
| SCHEMBL9213552 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TSHRSLC6A4HTR2AHTR1A | |
| Hydrochloric Acid SCHEMBL10649415 | 0.82 | HTR1A (0.56) | SLC6A4HTR2AHTR1ADRD2SLC6A2 | |
| SCHEMBL9739656 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TSHRABCB1SLC6A4HTR2A | |
| SCHEMBL9211917 | 0.79 | HTR1A (0.46) | ABCB1SLC6A4HTR1AHTR7ACHE | |
| Hydrochloric Acid SCHEMBL10649448 | 0.77 | HTR1A (0.54) | SLC6A4HTR2AHTR1ADRD2SLC6A2 | |
| SCHEMBL9206815 | 0.76 | HTR1A (0.55) | SLC6A4HTR2AHTR1ADRD2DRD3 | |
| Hydrochloric Acid SCHEMBL9205345 | 0.76 | HTR1A (0.53) | SLC6A4HTR2AHTR1ADRD2SLC6A2 | |
| Hydrochloric Acid SCHEMBL9216937 | 0.75 | SIGMAR1 (0.39) | — |
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 2 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 |