Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 12/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 11/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | HTR2B | P41595 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | SCN1A | P35498 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11193200 | 0.73 | ADRB1 (0.63) | ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL11204327 | 0.73 | ADRB2 (0.42) | ADRB2ADRB1ADRB3SLC6A4HTR2B | |
| SCHEMBL11193064 | 0.72 | KDM4E (0.43) | ADRB2ADRB1ADRB3SLC6A4SIGMAR1 | |
| SCHEMBL11201765 | 0.72 | MTNR1A (0.43) | CYP1A2CYP2D6SMN1; SMN2CYP2C9 | |
| SCHEMBL11655879 | 0.68 | ADRB1 (0.48) | ADRB1ADRB3SMN1; SMN2 | |
| SCHEMBL11652659 | 0.68 | ADRB1 (0.48) | ADRB1ADRB3SMN1; SMN2 | |
| SCHEMBL11652087 | 0.68 | ADRB1 (0.48) | ADRB1ADRB3SMN1; SMN2 | |
| Oxalic Acid SCHEMBL11191408 | 0.67 | CYP3A4 (0.45) | ADRB2ADRB1ADRB3ABCB1CYP1A2 | |
| SCHEMBL11164018 | 0.67 | KMT2A (0.47) | ADRB2ADRB1ADRB3ABCB1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11199889 | 0.66 | MEN1 (0.36) | ADRB2ADRB1ADRB3ABCB1ALDH1A1 |
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 |