Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.58 |
| ▸ | PARP1 | P09874 | 12/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
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 SCHEMBL9719834 | 0.99 | SIGMAR1 (0.57) | SIGMAR1PARP1HTR1A | |
| SCHEMBL9466847 | 0.97 | SIGMAR1 (0.63) | SIGMAR1PARP1HTR1A | |
| SCHEMBL9466984 | 0.96 | SIGMAR1 (0.61) | SIGMAR1PARP1HTR1A | |
| Hydrochloric Acid SCHEMBL9467616 | 0.95 | SIGMAR1 (0.60) | SIGMAR1PARP1HTR1A | |
| SCHEMBL9466987 | 0.85 | SIGMAR1 (0.61) | SIGMAR1PARP1 | |
| SCHEMBL9467634 | 0.84 | SIGMAR1 (0.69) | SIGMAR1HTR1A | |
| SCHEMBL8906892 | 0.82 | DRD2 (0.59) | PARP1 | |
| SCHEMBL9467746 | 0.81 | SIGMAR1 (0.65) | SIGMAR1PARP1 | |
| SCHEMBL10530548 | 0.80 | SIGMAR1 (0.65) | SIGMAR1PARP1 | |
| SCHEMBL9466909 | 0.80 | SIGMAR1 (0.58) | SIGMAR1PARP1HTR1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5118691-A | Substituted tetrahydropyridines as central nervous system agents | WARNER-LAMBERT CO. (US) | 1992-06-02 | — | — | US | claimed |
| US-5187280-A | Dopaminergic, antipsychotic and antihypertensive agents | WARNER-LAMBERT COMPANY (US) | 1993-02-16 | — | — | US | disclosed |
| US-5118691-A | Substituted tetrahydropyridines as central nervous system agents | WARNER-LAMBERT CO. (US) | 1992-06-02 | — | — | US | disclosed |
| US-5045550-A | Antipsychotic, hypotensive agents, dopaminergic | WARNER-LAMBERT CO. (US) | 1991-09-03 | — | — | US | disclosed |