Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL28139657 | 1.00 | TRPA1 (0.35) | TRPA1HTR2BIDO1CYP19A1KDM4E | |
| SCHEMBL31168159 | 1.00 | TRPA1 (0.35) | TRPA1HTR2BIDO1CYP19A1KDM4E | |
| SCHEMBL28188526 | 0.86 | TRPA1 (0.37) | TRPA1 | |
| SCHEMBL28139052 | 0.81 | PNMT (0.37) | TRPA1IDO1CYP19A1KDM4EL3MBTL1 | |
| SCHEMBL7508347 | 0.81 | KDM4E (0.36) | TRPA1IDO1CYP19A1KDM4EL3MBTL1 | |
| SCHEMBL28139649 | 0.81 | HTR2A (0.36) | TRPA1IDO1CYP19A1KDM4EL3MBTL1 | |
| SCHEMBL28853799 | 0.79 | HTR2A (0.40) | TRPA1IDO1 | |
| SCHEMBL28188528 | 0.77 | TRPA1 (0.33) | TRPA1 | |
| SCHEMBL29914779 | 0.76 | PNMT (0.42) | — | |
| SCHEMBL27159819 | 0.76 | PNMT (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023064493-A1 | COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES | Clear Creek Bio, Inc. (US) | 2023-04-20 | — | — | WO | disclosed |
| CN-110049780-A | Isoquinolinebenzodiazepine (IQB) -1 (chloromethyl) -2, 3-dihydro-1H-benzo [ E ] indole (CBI) dimer | 塞勒兰特治疗公司 | 2019-07-23 | — | — | CN | disclosed |
| US-5780589-A | DIPEPTIDES, TRIPEPTIDES OR CYCLIC PEPTIDES AS ANTAGONIST OF OPIOID RECEPTORS TREATING DRUG ABUSE, DRUG DEPENDENCE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-07-14 | — | — | US | disclosed |