Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30567840 | 0.88 | S100A4 (0.41) | S100A4TDP2CA1CA2CA4 | |
| SCHEMBL805016 | 0.88 | S100A4 (0.41) | S100A4TDP2CA1CA2CA4 | |
| SCHEMBL23332059 | 0.88 | TDP2 (0.38) | TDP2TGM2CES1CASP3 | |
| SCHEMBL429992 | 0.81 | PDK2 (0.38) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL30113034 | 0.81 | PDK2 (0.38) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL806937 | 0.78 | PDK2 (0.46) | PDE4B | |
| SCHEMBL29564362 | 0.78 | PDK2 (0.46) | PDE4B | |
| SCHEMBL19292554 | 0.78 | HTR2A (0.42) | TDP2CA1CA2CA4CA7 | |
| SCHEMBL13445385 | 0.78 | PDK2 (0.39) | TDP2 | |
| SCHEMBL19752163 | 0.78 | PDK2 (0.36) | S100A4TDP2TGM2CES1CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111362811-A | A compound of general formula and its application | 北京鼎材科技有限公司 | 2020-07-03 | — | — | CN | disclosed |
| WO-2016175533-A2 | COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME | 덕산네오룩스 주식회사 | 2016-11-03 | — | — | WO | disclosed |