Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 12/20 | 0.45 |
| ▸ | CA1 | P00915 | 12/20 | 0.45 |
| ▸ | CA2 | P00918 | 12/20 | 0.45 |
| ▸ | CA4 | P22748 | 12/20 | 0.45 |
| ▸ | CA7 | P43166 | 12/20 | 0.45 |
| ▸ | CA9 | Q16790 | 12/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3032201 | 0.92 | GPR119 (0.54) | CYP3A4CACNA1BNR1I2KDM4EGPR119 | |
| SCHEMBL3035026 | 0.86 | GPR119 (0.49) | CYP3A4CACNA1BNR1I2KDM4EGPR119 | |
| SCHEMBL3042305 | 0.82 | CYP3A4 (0.49) | CYP3A4CACNA1BNR1I2KDM4ETRPV1 | |
| SCHEMBL3039195 | 0.81 | CACNA1B (0.49) | CYP3A4CACNA1BNR1I2KDM4ELMNA | |
| SCHEMBL2189730 | 0.79 | CYP3A4 (0.46) | CYP3A4CACNA1BNR1I2KDM4EGPR119 | |
| SCHEMBL2196073 | 0.79 | CYP3A4 (0.46) | CYP3A4CACNA1BNR1I2KDM4EGPR119 | |
| SCHEMBL7920460 | 0.79 | CYP3A4 (0.46) | CYP3A4CACNA1BNR1I2KDM4EGPR119 | |
| SCHEMBL15108576 | 0.79 | CACNA1B (0.60) | CYP3A4CACNA1BNR1I2CA1CA2 | |
| SCHEMBL8050148 | 0.79 | CYP2C9 (0.60) | CYP3A4CACNA1BNR1I2KDM4ELMNA | |
| SCHEMBL3025631 | 0.78 | TRPV1 (0.52) | CYP3A4CACNA1BNR1I2KDM4ETRPV1 |
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-2009045382-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2009-04-09 | — | — | WO | disclosed |