Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| SCHEMBL30933408 | 0.76 | ALDH1A1 (0.49) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2850004 | 0.76 | ALDH1A1 (0.49) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21622770 | 0.73 | AHR (0.44) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21622772 | 0.71 | AHR (0.46) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4501486 | 0.69 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31510889 | 0.69 | ALDH1A1 (0.41) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21364151 | 0.68 | KIF11 (0.48) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21623397 | 0.67 | ALK (0.48) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23917402 | 0.66 | CDK4 (0.41) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24489537 | 0.66 | PTPN2 (0.42) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3820966-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-06-08 | — | — | EP | disclosed |
| WO-2020011686-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-01-16 | — | — | WO | disclosed |