Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 2/20 | 0.41 |
| ▸ | F12 | P00748 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18453504 | 0.89 | CYP2A6 (0.46) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL29094374 | 0.87 | RAB9A (0.47) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL18950546 | 0.84 | CYP2A6 (0.44) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL18531129 | 0.79 | CNR2 (0.40) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL3297650 | 0.77 | CNR2 (0.52) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL19134389 | 0.77 | CYP2A6 (0.47) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL18576588 | 0.74 | CYP2A6 (0.52) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL21017087 | 0.74 | CYP2A6 (0.41) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL20792703 | 0.73 | CYP2A6 (0.43) | CYP2A6CNR2RAB9APLAUF12 | |
| SCHEMBL29094377 | 0.72 | RAB9A (0.44) | CYP2A6CNR2RAB9APLAUF12 |
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-3160976-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-07-24 | — | — | EP | disclosed |