Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 11/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 7/20 | 0.54 |
| ▸ | CASR | P41180 | 3/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | HTR2C | P28335 | 4/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.51 |
| ▸ | HTR2B | P41595 | 3/20 | 0.51 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HTR2A | P28223 | 3/20 | 0.51 |
| ▸ | HTR6 | P50406 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | SCN1A | P35498 | 2/20 | 0.51 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10744064 | 0.90 | ADRB2 (0.56) | ADRB2ADRB3ADRB1SIGMAR1CYP1A2 | |
| SCHEMBL11225584 | 0.90 | ADRB2 (0.63) | ADRB2ADRB3ADRB1SIGMAR1CYP1A2 | |
| SCHEMBL10738067 | 0.80 | ADRB2 (0.78) | ADRB2ADRB3ADRB1SIGMAR1CYP1A2 | |
| SCHEMBL10743558 | 0.80 | CYP1A2 (0.60) | ADRB2ADRB3ADRB1SIGMAR1CYP1A2 | |
| SCHEMBL10965217 | 0.80 | NR2E1 (0.80) | ADRB2ADRB3ADRB1SIGMAR1CYP1A2 | |
| SCHEMBL10967219 | 0.80 | ADRB2 (0.53) | ADRB2ADRB3CASRADRB1CYP1A2 | |
| SCHEMBL772732 | 0.79 | NR2E1 (0.58) | ADRB2ADRB3CASRCYP1A2CYP2D6 | |
| SCHEMBL10737298 | 0.78 | ADRB2 (0.58) | ADRB2ADRB3ADRB1SIGMAR1CYP1A2 | |
| SCHEMBL5326478 | 0.77 | ADRB2 (0.54) | ADRB2ADRB3CASRADRB1SIGMAR1 | |
| SCHEMBL11502408 | 0.77 | CYP1A2 (0.57) | ADRB2ADRB3CASRCYP1A2CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0057572-B1 | ALKANOLAMINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-07-31 | — | — | EP | disclosed |
| US-4399138-A | DIURETICS, ADRENERGIC BLOCKING AND HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-08-16 | — | — | US | disclosed |