Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 8/20 | 0.44 |
| ▸ | CNR1 | P21554 | 7/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.44 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.44 |
| ▸ | TRPV2 | Q9Y5S1 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9089041 | 0.85 | NPSR1 (0.46) | PPARGLMNANPSR1ELANECA1 | |
| SCHEMBL6742481 | 0.79 | MEN1 (0.54) | PPARGLMNANPSR1ALDH1A1CYP3A4 | |
| SCHEMBL29275490 | 0.79 | S100A4 (0.41) | LMNANPSR1OPRM1CA1CA2 | |
| SCHEMBL9506034 | 0.79 | NPSR1 (0.41) | LMNANPSR1ELANECA1CA2 | |
| SCHEMBL6744454 | 0.77 | ALDH1A1 (0.65) | NPSR1CYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL361852 | 0.75 | CFTR (0.53) | LMNANPSR1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL29672587 | 0.75 | CFTR (0.53) | LMNANPSR1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL26023399 | 0.75 | AVPR1A (0.47) | LMNANPSR1ELANECA1CA2 | |
| SCHEMBL31448378 | 0.75 | ALDH1A1 (0.53) | LMNACA1CA2CA7CA9 | |
| SCHEMBL21962048 | 0.75 | ALDH1A1 (0.53) | LMNACA1CA2CA7CA9 |
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-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |