Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.47 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.47 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24748359 | 0.96 | CYP1A2 (0.49) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A | |
| SCHEMBL28888938 | 0.89 | CYP2A6 (0.44) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A | |
| SCHEMBL19189329 | 0.87 | CYP1A2 (0.65) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A | |
| SCHEMBL28400079 | 0.86 | CYP2A6 (0.58) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A | |
| SCHEMBL23238098 | 0.83 | CYP2A6 (0.54) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A | |
| SCHEMBL19897387 | 0.82 | CYP1A2 (0.49) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A | |
| SCHEMBL27354585 | 0.82 | CYP1A2 (0.49) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A | |
| SCHEMBL3798335 | 0.82 | CA12 (0.62) | CYP1A2CYP2C19KDM4EALDH1A1ATM | |
| SCHEMBL29992756 | 0.81 | MCL1 (0.43) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A | |
| SCHEMBL7763036 | 0.80 | CA12 (0.53) | CYP1A2CYP2C19KDM4EALDH1A1RAB9A |
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-2024013275-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2024-01-18 | — | — | WO | disclosed |