Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11201278 | 0.80 | SMN1; SMN2 (0.43) | NOS2CYP2D6SLC6A2SLC6A4HTR1A | |
| SCHEMBL10488463 | 0.75 | ADRB1 (0.64) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11161993 | 0.74 | NOS2 (0.39) | NOS2CYP2D6SLC6A2SLC6A4HTR1A | |
| SCHEMBL6173511 | 0.73 | HTR1A (0.47) | CYP2D6SLC6A2SLC6A4HTR1AADRA2A | |
| SCHEMBL8022633 | 0.71 | SLC6A2 (0.71) | NOS2CYP2D6SLC6A2SLC6A4CYP1A2 | |
| SCHEMBL10887933 | 0.69 | ADRB1 (0.59) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL13672851 | 0.66 | ALDH1A1 (0.53) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL5099963 | 0.66 | DPP4 (0.43) | SLC6A4SMN1; SMN2 | |
| SCHEMBL11792446 | 0.66 | ADRB1 (0.66) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11794422 | 0.66 | ADRB1 (0.66) | HTR1AADRA2AADRA2BMAOAHTR2B |
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 |