Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1L1 | Q9UHC9 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL319455 | 0.84 | HSD17B10 (0.42) | NPC1L1HSD17B10BDKRB2DDR1OPRM1 | |
| SCHEMBL9998864 | 0.79 | HSD17B10 (0.43) | NPC1L1HSD17B10BDKRB2DDR1OPRM1 | |
| SCHEMBL20187016 | 0.77 | HSD17B10 (0.57) | NPC1L1HSD17B10BDKRB2DDR1OPRM1 | |
| SCHEMBL20187107 | 0.76 | DDR1 (0.53) | NPC1L1HSD17B10BDKRB2DDR1DRD2 | |
| SCHEMBL20187117 | 0.73 | DDR1 (0.58) | NPC1L1HSD17B10BDKRB2DDR1DRD2 | |
| SCHEMBL3067132 | 0.73 | OPRL1 (0.61) | NPC1L1HSD17B10BDKRB2DRD2DRD4 | |
| Trifluoroacetic Acid SCHEMBL6247355 | 0.72 | OPRM1 (0.52) | NPC1L1HSD17B10BDKRB2DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL3231229 | 0.72 | OPRL1 (0.60) | NPC1L1HSD17B10BDKRB2DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL9485290 | 0.72 | OPRL1 (0.60) | NPC1L1HSD17B10BDKRB2DRD2DRD4 | |
| SCHEMBL319018 | 0.72 | DDR1 (0.49) | NPC1L1HSD17B10BDKRB2DDR1DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3138841-A1 | D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE | Altos Therapeutics, LLC (US) | 2017-03-08 | — | — | EP | disclosed |