Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 1.00 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9309563 | 0.89 | SIGMAR1 (0.97) | SIGMAR1PARP1ALDH1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL9308175 | 0.88 | SIGMAR1 (1.00) | SIGMAR1PARP1 | |
| SCHEMBL7386396 | 0.86 | SIGMAR1 (1.00) | SIGMAR1PARP1 | |
| SCHEMBL17035450 | 0.85 | SIGMAR1 (0.74) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL9309721 | 0.80 | SIGMAR1 (0.97) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL13663060 | 0.77 | DRD1 (0.73) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 | |
| SCHEMBL30296953 | 0.76 | ALDH1A1 (0.64) | SIGMAR1HTR1ASLC6A4DRD3ALDH1A1 | |
| SCHEMBL155413 | 0.76 | ALDH1A1 (0.64) | SIGMAR1HTR1ASLC6A4DRD3ALDH1A1 | |
| SCHEMBL10562412 | 0.75 | HTR1A (0.71) | SIGMAR1HTR1ASLC6A4DRD3 | |
| SCHEMBL12859693 | 0.74 | SIGMAR1 (0.58) | SIGMAR1CHRM2HTR1AADRA2ACHRM1 |
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-5254561-A | Tricyclic antipsychotic agents | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-19 | — | — | US | disclosed |
| EP-0463691-A2 | Tricyclic sigma ligands | MERCK SHARP & DOHME LTD. (GB) | 1992-01-02 | — | — | EP | disclosed |