Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 5/20 | 0.38 |
| ▸ | CCND1 | P24385 | 5/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | PRKCG | P05129 | 1/20 | 0.37 |
| ▸ | PRKCB | P05771 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.37 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL21427853 | 0.94 | GABRP (0.39) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL21427504 | 0.88 | CDK4 (0.46) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL4554410 | 0.83 | KDM4E (0.44) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL14951594 | 0.83 | CDK4 (0.48) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL22155551 | 0.82 | CDK4 (0.53) | CDK4CCND1KDM4EHTR2AHTR2C | |
| SCHEMBL30512157 | 0.82 | CDK4 (0.53) | CDK4CCND1KDM4EHTR2AHTR2C | |
| SCHEMBL19573603 | 0.80 | CDK4 (0.40) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL29093453 | 0.78 | HSD17B10 (0.46) | CYP1A1CYP1A2CYP1B1CASP1HSD17B10 | |
| SCHEMBL19573606 | 0.77 | CDK4 (0.48) | CDK4CCND1CCNE2CCNE1CDK2 | |
| SCHEMBL25733722 | 0.77 | KDM4E (0.50) | KDM4ECYP1A1CYP1A2CYP1B1PIM1 |
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-2019190231-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | 주식회사 엘지화학 | 2019-10-03 | — | — | WO | disclosed |