Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.31 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17524917 | 0.89 | EGLN1 (0.33) | — | |
| SCHEMBL17506487 | 0.86 | NPC1 (0.34) | OPRL1OPRK1ALDH1A1MAPTGAA | |
| SCHEMBL17525045 | 0.84 | EGLN1 (0.41) | OPRL1 | |
| SCHEMBL21912460 | 0.74 | NPC1 (0.30) | — | |
| SCHEMBL21912465 | 0.74 | DGAT1 (0.31) | — | |
| SCHEMBL17525046 | 0.73 | OPRL1 (0.35) | OPRL1 | |
| SCHEMBL15699637 | 0.73 | CALCRL (0.31) | OPRK1 | |
| SCHEMBL17524945 | 0.72 | RET (0.34) | — | |
| SCHEMBL18181139 | 0.70 | EGLN1 (0.39) | OPRM1OPRL1OPRK1 | |
| SCHEMBL17506429 | 0.70 | GAA (0.37) | MAPTSMN1; SMN2GAAHSD17B10KMT2A |
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-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |