Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGER | Q15109 | 3/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.44 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11923255 | 0.97 | AGER (0.48) | AGERMTNR1ATACR1ACKR3TRPA1 | |
| SCHEMBL11923238 | 0.91 | TACR1 (0.43) | AGERMTNR1ATACR1ACKR3TRPA1 | |
| SCHEMBL11923234 | 0.91 | ALDH1A1 (0.44) | AGERMTNR1ATACR1ACKR3TRPA1 | |
| SCHEMBL8265883 | 0.91 | TACR1 (0.54) | TACR1TRPA1ALDH1A1TSHROPRM1 | |
| SCHEMBL8267483 | 0.91 | AGER (0.45) | AGERMTNR1ATACR1ACKR3TRPA1 | |
| SCHEMBL8266052 | 0.91 | TACR1 (0.52) | AGERMTNR1ATACR1ACKR3TRPA1 | |
| SCHEMBL8266015 | 0.91 | AGER (0.45) | AGERMTNR1ATACR1ACKR3TRPA1 | |
| SCHEMBL8267738 | 0.90 | TACR1 (0.53) | AGERMTNR1ATACR1TRPA1ALDH1A1 | |
| SCHEMBL11923218 | 0.90 | TACR1 (0.42) | AGERMTNR1ATACR1ACKR3TRPA1 | |
| SCHEMBL2957909 | 0.90 | ALDH1A1 (0.43) | AGERMTNR1ATACR1ACKR3TRPA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8546414-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-10-01 | — | — | US | disclosed |
| US-8546414-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-10-01 | — | — | US | disclosed |
| US-20120270318-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | US | disclosed |
| US-20120270318-A1 | ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-25 | — | — | US | disclosed |
| US-7767680-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |
| US-7767680-B2 | Ion channel modulators and methods of use | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-03 | — | — | US | disclosed |