Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 5/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | REN | P00797 | 2/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13078578 | 0.86 | CACNA1B (0.37) | CACNA1BCTSSCTSKRENITGB3 | |
| SCHEMBL10060683 | 0.83 | CYP2D6 (0.38) | CACNA1BCTSSCTSKRENCHRM2 | |
| SCHEMBL7849129 | 0.83 | CYP2D6 (0.38) | CACNA1BCTSSCTSKRENCHRM2 | |
| SCHEMBL3806247 | 0.81 | BTK (0.39) | CACNA1BCTSSCTSKITGB3ITGA2B | |
| SCHEMBL3751248 | 0.80 | BTK (0.40) | CTSSCTSKITGB3ITGA2BCHRM2 | |
| SCHEMBL13078813 | 0.80 | CTSK (0.34) | CACNA1BCTSSCTSKCHRM2CHRM1 | |
| SCHEMBL13078576 | 0.77 | DPP4 (0.37) | CACNA1BRENCHRM2CHRM1CHRM3 | |
| SCHEMBL13078880 | 0.77 | ELANE (0.34) | CACNA1BCTSSCTSKBTKKMT2A | |
| SCHEMBL13078577 | 0.76 | CACNA1B (0.34) | CACNA1BRENKMT2ACYP2D6 | |
| SCHEMBL13078575 | 0.75 | CTSL (0.46) | CACNA1BRENKMT2A |
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-2009037719-A1 | NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS | LUPIN LIMITED (IN) | 2009-03-26 | — | — | WO | disclosed |