Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.52 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 5/20 | 0.45 |
| ▸ | DRD4 | P21917 | 5/20 | 0.45 |
| ▸ | DRD3 | P35462 | 5/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 7/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.42 |
| ▸ | CCR3 | P51677 | 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 | |
|---|---|---|---|---|
| SCHEMBL17140776 | 0.85 | NPC1L1 (0.47) | OPRM1OPRD1OPRK1OPRL1DRD2 | |
| SCHEMBL20340396 | 0.82 | OPRM1 (0.49) | OPRM1OPRD1OPRK1OPRL1DRD2 | |
| SCHEMBL17149482 | 0.82 | NPC1L1 (0.45) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL17140778 | 0.74 | ALDH1A1 (0.39) | USP2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL16244620 | 0.74 | CYP2D6 (0.48) | OPRM1OPRD1OPRK1OPRL1CYP3A4 | |
| SCHEMBL4067940 | 0.74 | ITGB3 (0.48) | USP2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL17140692 | 0.74 | NPC1L1 (0.58) | OPRM1OPRD1OPRK1OPRL1DRD2 | |
| SCHEMBL17140743 | 0.74 | NPC1L1 (0.54) | OPRM1OPRD1OPRK1OPRL1DRD2 | |
| SCHEMBL18940731 | 0.74 | ALDH1A1 (0.37) | USP2ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL18961697 | 0.74 | ENPP2 (0.56) | OPRM1OPRD1OPRK1OPRL1DRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3125895-A1 | SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN | X-RX, Inc. (US) | 2017-02-08 | — | — | EP | disclosed |
| WO-2015154023-A1 | SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN | X-RX DISCOVERY, INC. (US) | 2015-10-08 | — | — | WO | disclosed |