Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11480295 | 0.89 | CYP3A4 (0.42) | DRD1DRD2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL11544771 | 0.89 | CYP3A4 (0.43) | DRD1DRD2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL11264048 | 0.88 | CYP3A4 (0.43) | DRD1DRD2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10748766 | 0.82 | CYP2D6 (0.55) | DRD1DRD2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL11266427 | 0.80 | ESR1 (0.43) | CYP3A4CYP2D6MTNR1BALDH1A1KIF11 | |
| SCHEMBL11254176 | 0.80 | DRD2 (0.46) | DRD1DRD2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10746034 | 0.79 | CYP3A4 (0.56) | DRD1DRD2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10746175 | 0.77 | CYP3A4 (0.53) | DRD1DRD2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10743718 | 0.76 | CYP3A4 (0.53) | DRD1DRD2CYP3A4CYP2D6MTNR1B | |
| SCHEMBL10345334 | 0.76 | CYP3A4 (0.53) | DRD1DRD2CYP3A4CYP2D6MTNR1B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4359464-A | 3-Furylmethyl-6-halo-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines and antihypertensive use thereof | SMITHKLINE BECKMAN CORPORATION (US) | 1982-11-16 | — | — | US | disclosed |
| US-4352754-A | HYPOTENSIVE, ANTI-PARKINSON | SMITHKLINE CORPORATION (US) | 1982-10-05 | — | — | US | disclosed |
| US-4255422-A | DIURETICS, TREATMENT OF CARDIOVASCULAR DISORDERS | SMITHKLINE CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |
| US-4206210-A | PARKINSON'S DISEASE | SMITHKLINE CORPORATION (US) | 1980-06-03 | — | — | US | disclosed |
| US-4160765-A | Method for 6-bromination of 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine compounds | SMITHKLINE CORPORATION (US) | 1979-07-10 | — | — | US | disclosed |