Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 18/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SCN1A | P35498 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9500040 | 0.99 | SIGMAR1 (0.55) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL10377893 | 0.75 | SIGMAR1 (0.47) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL20242384 | 0.74 | GFER (0.59) | GFER | |
| Acridorex SCHEMBL2109234 | 0.74 | SIGMAR1 (0.64) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| Hydrochloric Acid SCHEMBL10377704 | 0.74 | SIGMAR1 (0.46) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL10766740 | 0.74 | CYP2D6 (0.49) | SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19498788 | 0.74 | SIGMAR1 (1.00) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL9360922 | 0.74 | SIGMAR1 (1.00) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL10464591 | 0.73 | SIGMAR1 (0.57) | SIGMAR1ADRB2ADRB1HTR1AADORA3 | |
| SCHEMBL4223544 | 0.73 | KDM4E (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4980368-A | CEREBRALVASCULAR DISORDERS; ANTIHYPOXIA AGENTS; COGNITION ACTIVATORS; SENILITY | BEECHAM-WUELFING GMBH & CO. KG (DE) | 1990-12-25 | — | — | US | claimed |
| EP-0233413-A2 | 3-(2-Aminoethyl)indole and -indoline derivatives, processes for their preparation and pharmaceutical compositions containing them | SMITHKLINE BEECHAM PHARMA GmbH (DE) | 1987-08-26 | — | — | EP | claimed |