Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11712657 | 0.93 | CYP3A4 (0.72) | CYP3A4CYP2D6TRPV1 | |
| SCHEMBL11717530 | 0.88 | CYP2D6 (0.71) | CYP3A4CYP2D6TRPV1 | |
| SCHEMBL10800464 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2D6ABCB1 | |
| Bromide SCHEMBL11712496 | 0.83 | KDM4E (0.68) | CYP2D6 | |
| Trepipam SCHEMBL29374758 | 0.82 | CYP2D6 (1.00) | CYP3A4CYP2D6 | |
| SCHEMBL14288500 | 0.82 | SIGMAR1 (0.56) | — | |
| Trepipam SCHEMBL11704977 | 0.82 | CYP2D6 (1.00) | CYP3A4CYP2D6 | |
| SCHEMBL11542021 | 0.81 | DRD2 (0.46) | CYP3A4CYP2D6 | |
| SCHEMBL11529724 | 0.81 | DRD1 (0.46) | CYP3A4CYP2D6 | |
| SCHEMBL11257199 | 0.80 | CYP3A4 (0.44) | CYP3A4CYP2D6 |
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-4172890-A | CARDIOVASCULAR, PARKINSON'S DISEASE, DOPAMINERGIC | SMITHKLINE CORPORATION (US) | 1979-10-30 | — | — | US | disclosed |
| US-4108989-A | TREATING PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS | SMITHKLINE CORPORATION (US) | 1978-08-22 | — | — | US | disclosed |
| US-4052506-A | BENZAZEPINES | SMITHKLINE CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |
| US-4011319-A | STIMULATING DOPAMINE RECEPTORS, RENAL VASODILATORS, DIURETICS | SMITHKLINE CORPORATION (US) | 1977-03-08 | — | — | US | disclosed |