Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 3/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11204329 | 0.84 | ADRB2 (0.46) | MTNR1AADRB2MEN1KMT2AADRB1 | |
| SCHEMBL11201767 | 0.80 | MTNR1A (0.42) | MTNR1ANPC1RAB9AHPGDADRB2 | |
| SCHEMBL11201765 | 0.75 | MTNR1A (0.43) | MTNR1ANPC1RAB9AHPGDROCK2 | |
| SCHEMBL11194886 | 0.74 | MTNR1A (0.42) | MTNR1ARAB9AADRB2ADRB1 | |
| SCHEMBL7526194 | 0.73 | MTNR1A (0.68) | MTNR1ARAB9AHPGD | |
| SCHEMBL11266560 | 0.72 | TACR1 (0.39) | MTNR1ANPC1RAB9AHPGDPRMT5 | |
| SCHEMBL11655875 | 0.70 | ADRB3 (0.54) | ADRB2ADRB1 | |
| SCHEMBL11298537 | 0.70 | ADRB3 (0.54) | ADRB2ADRB1 | |
| SCHEMBL11652084 | 0.70 | ADRB3 (0.54) | ADRB2ADRB1 | |
| SCHEMBL11570223 | 0.70 | MEN1 (0.64) | ADRB2CYP3A4CYP2D6KDM4EMEN1 |
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-4387099-A | Alkanolamine derivatives | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1983-06-07 | — | — | US | disclosed |
| US-4327113-A | DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-04-27 | — | — | US | disclosed |
| US-4260632-A | ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-04-07 | — | — | US | disclosed |
| US-4221807-A | ADRENERGIC BLOCKING AGENTS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-09-09 | — | — | US | disclosed |
| US-4141987-A | HYPOTENSIVE, ADRENERGIC BLOCKING AGENT | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1979-02-27 | — | — | US | disclosed |