Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | USP9X | Q93008 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.34 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11201763 | 0.75 | MTNR1A (0.45) | MTNR1ANPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL11204323 | 0.72 | ADRB2 (0.39) | SMN1; SMN2CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL11655879 | 0.71 | ADRB1 (0.48) | NPC1RAB9ASMN1; SMN2GPR88 | |
| SCHEMBL11652659 | 0.71 | ADRB1 (0.48) | NPC1RAB9ASMN1; SMN2GPR88 | |
| SCHEMBL11652087 | 0.71 | ADRB1 (0.48) | NPC1RAB9ASMN1; SMN2GPR88 | |
| SCHEMBL11201767 | 0.69 | MTNR1A (0.42) | MTNR1ANPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL7268290 | 0.69 | MTNR1A (0.56) | MTNR1ACYP3A4CYP2D6CYP2C9ROCK2 | |
| SCHEMBL10148115 | 0.68 | MTNR1A (0.54) | MTNR1ACYP3A4CYP2D6CYP2C9ROCK2 | |
| SCHEMBL11655170 | 0.63 | GPR88 (0.43) | GPR88 | |
| SCHEMBL11655464 | 0.63 | GPR88 (0.43) | GPR88 |
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 |