Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UBE2M | P61081 | 5/20 | 0.49 |
| ▸ | DCUN1D1 | Q96GG9 | 5/20 | 0.49 |
| ▸ | TACR1 | P25103 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | CCR2 | P41597 | 2/20 | 0.45 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7407980 | 0.86 | BCHE (0.52) | TACR1BCHEACHEBACE1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7415163 | 0.78 | SLC6A3 (0.55) | BCHEACHEBACE1ALDH1A1SLC6A4 | |
| SCHEMBL7409358 | 0.73 | EPHX2 (0.41) | SIGMAR1CCR2BCHESLC6A3 | |
| SCHEMBL6351172 | 0.70 | CHRM4 (0.61) | UBE2MDCUN1D1SIGMAR1CCR2BCHE | |
| SCHEMBL7414785 | 0.69 | SLC6A2 (0.58) | MCHR1ACHESLC6A4SLC6A3 | |
| SCHEMBL7409350 | 0.69 | SLC6A2 (0.57) | MCHR1ACHESLC6A4SLC6A3 | |
| SCHEMBL7416341 | 0.69 | DRD4 (0.51) | SIGMAR1MCHR1BCHEACHEBACE1 | |
| SCHEMBL7458788 | 0.69 | SLC6A4 (0.52) | MCHR1ACHESLC6A4SLC6A3 | |
| SCHEMBL7412531 | 0.68 | DRD2 (0.47) | SIGMAR1SLC6A3 | |
| SCHEMBL7413825 | 0.68 | SLC6A2 (0.53) | MCHR1ACHESLC6A4SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5198449-A | N-substituted alpha-arylazacycloalkylmethanamines and their use as cardiovascular agents | A. H. ROBINS COMPANY INCORPORATED (US) | 1993-03-30 | — | — | US | disclosed |