Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.58 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 2/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.51 |
| ▸ | MPO | P05164 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7442841 | 0.82 | SIGMAR1 (0.57) | SLC6A2SLC6A4SLC6A3SIGMAR1HTT | |
| SCHEMBL7433513 | 0.82 | SIGMAR1 (0.53) | SLC6A2SLC6A4SLC6A3SIGMAR1HTT | |
| SCHEMBL7978015 | 0.78 | SIGMAR1 (0.67) | SLC6A2SLC6A4SLC6A3SIGMAR1HTT | |
| Hydrochloric Acid SCHEMBL7368184 | 0.77 | TAAR1 (0.67) | SLC6A4MPOTAAR1HPGD | |
| SCHEMBL7439066 | 0.77 | SLC6A4 (0.92) | SLC6A2SLC6A4SLC6A3SIGMAR1HTT | |
| SCHEMBL7443882 | 0.76 | SLC6A4 (0.60) | SLC6A2SLC6A4SLC6A3SIGMAR1HTT | |
| SCHEMBL7424758 | 0.75 | SLC6A3 (0.57) | SLC6A4SLC6A3MPOTAAR1HPGD | |
| SCHEMBL15529750 | 0.74 | HTT (0.75) | SLC6A2SLC6A4SLC6A3SIGMAR1HTT | |
| SCHEMBL13302838 | 0.74 | HTT (0.70) | SLC6A2SLC6A4SLC6A3SIGMAR1HTT | |
| SCHEMBL172293 | 0.71 | TAAR1 (0.63) | MPOTAAR1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5171752-A | BENZHYDRYL DERIVATIVES HAVING CALMODULIN INHIBITOR PROPERTIES | AKZO N.V. (NL) | 1992-12-15 | — | — | US | disclosed |
| EP-0467435-A2 | Benzhydryl derivatives having calmodulin inhibitor properties | Akzo Nobel N.V. (NL) | 1992-01-22 | — | — | EP | disclosed |