Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 3/20 | 0.37 |
| ▸ | PPARA | Q07869 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28820861 | 0.82 | NOTUM (0.50) | TRPA1MAPTNOTUMDRD4DRD2 | |
| SCHEMBL27796251 | 0.79 | SLC6A9 (0.46) | TRPA1LMNAMAPTNOTUMAKR1C3 | |
| SCHEMBL15728297 | 0.79 | TRPA1 (0.57) | TRPA1LMNAMAPTNOTUMAKR1C3 | |
| SCHEMBL15719387 | 0.76 | TRPA1 (0.60) | TRPA1LMNAMAPTNOTUMAKR1C3 | |
| SCHEMBL28022536 | 0.74 | TRPA1 (0.46) | TRPA1LMNAMAPTNOTUMAKR1C3 | |
| SCHEMBL28597269 | 0.73 | NOTUM (0.53) | NOTUMDRD4DRD2CA12CA2 | |
| SCHEMBL22499928 | 0.73 | NOTUM (0.53) | NOTUMDRD4DRD2CA12CA2 | |
| SCHEMBL15728268 | 0.73 | TRPA1 (0.47) | TRPA1LMNAMAPTNOTUMAKR1C3 | |
| SCHEMBL28091529 | 0.72 | DRD4 (0.55) | DRD4DRD2CYP2D6 | |
| Hydrochloric Acid SCHEMBL15719216 | 0.72 | TRPA1 (0.46) | TRPA1LMNAMAPTNOTUMAKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104812740-A | Novel acetamide derivatives as TRP channel antagonists | HOFFMANN LA ROCHE | 2015-07-29 | — | — | CN | disclosed |