Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | EDNRA | P25101 | 3/20 | 0.44 |
| ▸ | EDNRB | P24530 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7817290 | 0.81 | EDNRA (0.61) | GABRA1GABRB2EDNRAEDNRB | |
| SCHEMBL13965005 | 0.77 | MAOB (0.69) | GABRA1GABRB2MAOBNPC1MAPT | |
| SCHEMBL27456073 | 0.70 | EDNRA (0.52) | GABRA1GABRB2MAOBNPC1MAPT | |
| SCHEMBL27324531 | 0.68 | EDNRA (0.52) | EDNRACYP3A4CYP1A2 | |
| SCHEMBL31125991 | 0.67 | MAOB (0.65) | GABRA1GABRB2MAOBNPC1MAPT | |
| SCHEMBL25189215 | 0.66 | GABRA1 (0.64) | GABRA1GABRB2MAOBNPC1MAPT | |
| SCHEMBL14966364 | 0.66 | ALDH1A1 (0.56) | MAOBNPC1MAPTRAB9ACYP19A1 | |
| SCHEMBL23320569 | 0.65 | LMNA (0.54) | MAOBCYP19A1ABCG2ABCB1AR | |
| SCHEMBL23124236 | 0.65 | HSP90AB1 (0.50) | GABRA1GABRB2MAOBNPC1MAPT | |
| SCHEMBL127704 | 0.65 | MAOB (1.00) | MAOBNPC1MAPTRAB9ACYP19A1 |
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-5817693-A | Endothelin receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 1998-10-06 | — | — | US | disclosed |
| US-5719183-A | HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |
| US-5719182-A | TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |
| US-5716984-A | INDANE AND INDENE DERIVATIVES; TREATMENT OF CARDIOVASCULAR DISORDERS, KIDNEY DISORDERS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-10 | — | — | US | disclosed |