Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1L1 | Q9UHC9 | 3/20 | 0.48 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18940740 | 0.90 | NPC1L1 (0.51) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17141075 | 0.89 | NPC1L1 (0.48) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17141036 | 0.89 | NPC1L1 (0.48) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17140692 | 0.89 | NPC1L1 (0.58) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17140776 | 0.88 | NPC1L1 (0.47) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17140743 | 0.88 | NPC1L1 (0.54) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17149494 | 0.87 | GPR119 (0.53) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17140857 | 0.86 | NPC1L1 (0.50) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17140860 | 0.86 | GPR119 (0.46) | NPC1L1CCR5OPRM1OPRD1OPRK1 | |
| SCHEMBL17149443 | 0.85 | NPC1L1 (0.45) | NPC1L1CCR5OPRM1OPRD1OPRK1 |
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-2015154023-A1 | SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN | X-RX DISCOVERY, INC. (US) | 2015-10-08 | — | — | WO | disclosed |