Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.31 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10337739 | 1.00 | CHRM3 (0.32) | CHRM3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL10337530 | 1.00 | CHRM3 (0.32) | CHRM3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL10337647 | 1.00 | CHRM3 (0.32) | CHRM3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL10337760 | 1.00 | CHRM3 (0.32) | CHRM3OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL10337714 | 0.95 | SLC10A2 (0.32) | MEN1POLBKMT2A | |
| SCHEMBL10337718 | 0.90 | KDM1A (0.35) | — | |
| SCHEMBL10337754 | 0.85 | KDM1A (0.32) | — | |
| SCHEMBL10341138 | 0.83 | KCNH2 (0.34) | CHRM3BACE1BACE2KCNH2MEN1 | |
| SCHEMBL7790549 | 0.79 | MMP2 (0.32) | KCNH2 | |
| SCHEMBL10359492 | 0.79 | HRH3 (0.36) | CHRM3KCNH2MEN1KMT2A |
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-0381728-A1 | DIFLUOROMETHYL COMPOUNDS. | MERCK PATENT GMBH (DE) | 1990-08-16 | — | — | EP | disclosed |
| WO-1990001056-A1 | DIFLUOROMETHYL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-02-08 | — | — | WO | disclosed |