Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10483346 | 0.87 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| SCHEMBL11324717 | 0.87 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| SCHEMBL10661539 | 0.86 | CYP3A4 (0.49) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| Hydrochloric Acid SCHEMBL11572257 | 0.86 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| SCHEMBL11571411 | 0.82 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| SCHEMBL11750982 | 0.82 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| SCHEMBL11570925 | 0.82 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| SCHEMBL11570447 | 0.82 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| SCHEMBL11747419 | 0.82 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A | |
| SCHEMBL11573526 | 0.82 | CYP3A4 (0.58) | ALOX5LTA4HCYP3A4ADRB2HTR1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4163060-A | Aralkylamino carboxylic acids and derivatives having spasmolytic activity | U.S. PHILIPS CORPORATION (US) | 1979-07-31 | — | — | US | disclosed |