Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 1/20 | 0.66 |
| ▸ | NR1D2 | Q14995 | 1/20 | 0.66 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL16636418 | 0.91 | NR1D1 (0.79) | NR1D1NR1D2HDAC1CHRM3CHRM2 | |
| SCHEMBL16636363 | 0.89 | NR1D1 (0.83) | NR1D1NR1D2HDAC1BACE1CA1 | |
| Hydrochloric Acid SCHEMBL17982778 | 0.88 | NR1D1 (0.81) | NR1D1NR1D2HDAC1BACE1CA1 | |
| SCHEMBL18021946 | 0.82 | NR1D1 (0.83) | NR1D1NR1D2BACE1 | |
| Hydrochloric Acid SCHEMBL16636450 | 0.81 | NR1D1 (0.82) | NR1D1NR1D2BACE1 | |
| SCHEMBL16636237 | 0.80 | NR1D1 (0.84) | NR1D1NR1D2BACE1SIGMAR1 | |
| SCHEMBL16636446 | 0.79 | NR1D2 (1.00) | NR1D1NR1D2HDAC1BACE1 | |
| SCHEMBL16636464 | 0.79 | NR1D2 (0.85) | NR1D1NR1D2BACE1 | |
| SCHEMBL29378837 | 0.79 | NR1D2 (1.00) | NR1D1NR1D2HDAC1BACE1 | |
| Hydrochloric Acid SCHEMBL16636462 | 0.79 | NR1D1 (0.82) | NR1D1NR1D2BACE1SIGMAR1 |
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-3055293-B1 | DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS | FOND ST ITALIANO TECNOLOGIA (IT) | 2017-12-06 | — | — | EP | disclosed |