Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 8/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14837219 | 0.73 | CCR1 (0.36) | HTR2AHTR2CHTR2B | |
| SCHEMBL14833808 | 0.69 | CRHR1 (0.38) | CCKBRTRPV4CACNA1B | |
| SCHEMBL14837038 | 0.68 | CRHR1 (0.35) | CCKBRHCRTR1HCRTR2TRPV4 | |
| SCHEMBL14815391 | 0.67 | EPHX2 (0.41) | HCRTR1HCRTR2TRPV4 | |
| SCHEMBL4295046 | 0.64 | SLC6A9 (0.41) | CCKBRSLC6A9HCRTR1HCRTR2TRPV4 | |
| Trifluoroacetic Acid SCHEMBL22462875 | 0.57 | TRPV4 (0.42) | CCKBRHCRTR1HCRTR2TRPV4 | |
| SCHEMBL24667338 | 0.57 | HPGD (0.46) | SLC6A9 | |
| SCHEMBL15054817 | 0.57 | CHRM1 (0.47) | — | |
| SCHEMBL21394420 | 0.57 | MRGPRX1 (0.56) | — | |
| SCHEMBL12309258 | 0.57 | ALDH1A1 (0.51) | HCRTR1HCRTR2TRPV4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013049174-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-A]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS | ABBVIE INC. (US) | 2013-04-04 | — | — | WO | disclosed |