Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM5 | Q9NZQ8 | 3/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 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 | |
|---|---|---|---|---|
| SCHEMBL6192228 | 0.82 | PNMT (0.50) | MTNR1AESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL15031156 | 0.81 | PRKD3 (0.41) | MTNR1AESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6194447 | 0.81 | TRPM5 (0.43) | TRPM5MTNR1AESR1ESR2HTR2B | |
| SCHEMBL14822782 | 0.80 | MTNR1A (0.36) | MTNR1AESR1ESR2CYP1A2CYP2D6 | |
| SCHEMBL6754201 | 0.77 | AR (0.38) | ESR1ESR2TRPV1AR | |
| SCHEMBL6754202 | 0.77 | AR (0.38) | ESR1ESR2TRPV1AR | |
| SCHEMBL700861 | 0.76 | MTNR1A (0.56) | MTNR1AGAADRD3CREBBPPRKCG | |
| SCHEMBL3441906 | 0.76 | MTNR1A (0.56) | MTNR1AGAADRD3CREBBPPRKCG | |
| SCHEMBL21243002 | 0.76 | AR (0.40) | ESR1ESR2MGAMGAASI | |
| SCHEMBL13091374 | 0.76 | AR (0.40) | ESR1ESR2MGAMGAASI |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2102189-B1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-07-29 | — | — | EP | disclosed |
| US-8466295-B2 | Thiophene derivatives as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-06-18 | — | — | US | disclosed |
| US-8410155-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-04-02 | — | — | US | disclosed |
| WO-2007070818-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |