Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL27445638 | 0.94 | OPRM1 (0.40) | OPRM1SIGMAR1HPGDGFERHSD17B10 | |
| SCHEMBL20883903 | 0.88 | HPGD (0.41) | OPRM1SIGMAR1HPGDGFERHSD17B10 | |
| SCHEMBL25452842 | 0.80 | OPRM1 (0.44) | OPRM1SIGMAR1LMNATSHRALDH1A1 | |
| SCHEMBL27445311 | 0.75 | HPGD (0.40) | OPRM1HPGDGFERHSD17B10NR1H3 | |
| SCHEMBL27445652 | 0.74 | HTR2A (0.30) | — | |
| SCHEMBL26849180 | 0.73 | HPGD (0.44) | OPRM1HPGDGFERHSD17B10NR1H3 | |
| SCHEMBL24525769 | 0.73 | MEN1 (0.44) | OPRM1SIGMAR1NLRP3MEN1KMT2A | |
| SCHEMBL13637297 | 0.72 | GRM5 (0.54) | HPGDGFERHSD17B10NR1H3LMNA | |
| SCHEMBL19368987 | 0.72 | MEN1 (0.50) | HPGDGFERHSD17B10OPRD1MEN1 | |
| SCHEMBL12545696 | 0.71 | NPSR1 (0.41) | HPGDGFERHSD17B10NR1H3LMNA |
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-2024119122-A1 | CDK INHIBITORS AND METHODS AND USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2024-06-06 | — | — | WO | disclosed |