Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | NAT1 | P18440 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20320140 | 0.87 | DRD1 (0.41) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL21508864 | 0.83 | ALDH1A1 (0.43) | DRD1ALDH1A1KDM4E | |
| SCHEMBL31025937 | 0.81 | ALDH1A1 (0.38) | DRD1DRD2DRD4DRD5DRD3 | |
| SCHEMBL30945063 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP2A6APPKDM4EKCNA3 | |
| SCHEMBL27553485 | 0.81 | ALDH1A1 (0.39) | ALDH1A1CYP2A6KDM4E | |
| SCHEMBL28548548 | 0.81 | ALDH1A1 (0.39) | ALDH1A1CYP2A6KDM4E | |
| SCHEMBL733459 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP2A6KDM4EKCNA3 | |
| SCHEMBL29511964 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP2A6KDM4EKCNA3 | |
| SCHEMBL21508957 | 0.80 | ALDH1A1 (0.41) | DRD1ALDH1A1APPKDM4E | |
| SCHEMBL5195266 | 0.80 | ALDH1A1 (0.52) | DRD1DRD2DRD4DRD5DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3559078-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2023-10-25 | — | — | EP | disclosed |
| US-20190322796-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2019-10-24 | — | — | US | disclosed |
| WO-2018114882-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2018-06-28 | — | — | WO | disclosed |