Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22297852 | 0.87 | AR (0.44) | MTNR1AESR1ESR2TRPV1TRPV4 | |
| SCHEMBL6754201 | 0.85 | AR (0.38) | ESR1ESR2TRPV1KIF11AR | |
| SCHEMBL6754202 | 0.85 | AR (0.38) | ESR1ESR2TRPV1KIF11AR | |
| SCHEMBL8238979 | 0.80 | TRPM5 (0.43) | MTNR1AESR1ESR2TRPV1CYP1A2 | |
| SCHEMBL13986217 | 0.78 | AR (0.41) | ESR1ESR2TRPV1TRPV4KIF11 | |
| SCHEMBL6192228 | 0.78 | PNMT (0.50) | MTNR1AESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL22297828 | 0.78 | AR (0.43) | MTNR1AESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL15031156 | 0.78 | PRKD3 (0.41) | MTNR1AESR1ESR2KIF11CYP1A2 | |
| SCHEMBL6194447 | 0.77 | TRPM5 (0.43) | MTNR1AESR1ESR2HTR2B | |
| SCHEMBL13920389 | 0.77 | KIF11 (0.37) | ESR1ESR2TRPV1TRPV4KIF11 |
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-8410155-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-02 | — | — | US | disclosed |