Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.97 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9308175 | 0.99 | SIGMAR1 (1.00) | SIGMAR1PARP1 | |
| SCHEMBL7386396 | 0.92 | SIGMAR1 (1.00) | SIGMAR1PARP1 | |
| SCHEMBL9309721 | 0.92 | SIGMAR1 (0.97) | SIGMAR1PARP1 | |
| SCHEMBL7376361 | 0.89 | SIGMAR1 (1.00) | SIGMAR1PARP1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL7530169 | 0.81 | SIGMAR1 (0.97) | SIGMAR1PARP1 | |
| SCHEMBL9306818 | 0.77 | SIGMAR1 (0.64) | SIGMAR1 | |
| Hydrochloric Acid SCHEMBL9308470 | 0.76 | SIGMAR1 (0.67) | SIGMAR1 | |
| SCHEMBL30296953 | 0.76 | ALDH1A1 (0.64) | SIGMAR1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL155413 | 0.76 | ALDH1A1 (0.64) | SIGMAR1ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10565610 | 0.75 | HTR1A (0.71) | SIGMAR1PARP1 |
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-5294618-A | Psychological disorders | MERCK SHARP & DOHME LIMITED (GB) | 1994-03-15 | — | — | US | disclosed |
| EP-0410535-A2 | Octahydrobenzisoquinoline derivatives as antipsychotic agents | MERCK SHARP & DOHME LTD. (GB) | 1991-01-30 | — | — | EP | disclosed |