Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA4 | P22748 | 3/20 | 0.33 |
| ▸ | CA6 | P23280 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL28218316 | 0.83 | CFTR (0.34) | MAPK10RIPK1KIF11CFTRCA1 | |
| SCHEMBL28218315 | 0.80 | GSK3B (0.44) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL28218318 | 0.77 | CA1 (0.49) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL28217847 | 0.75 | CA1 (0.47) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL28217857 | 0.75 | CDK1 (0.52) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL5688862 | 0.60 | CCNB2 (1.00) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL30319794 | 0.60 | CCNB2 (1.00) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL29131274 | 0.60 | NOS3 (0.39) | ALDH1A1NPC1RAB9ABCHEACHE | |
| SCHEMBL10039077 | 0.59 | HRH4 (0.44) | KDM4EALDH1A1NPC1RAB9ABCHE | |
| SCHEMBL12083998 | 0.58 | HRH4 (0.50) | CDK5KDM4EALDH1A1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108101912-A | Dihydrobenzene nitrogen Zhuo diindyl derivative and preparation method thereof | 浙江大学 | 2018-06-01 | — | — | CN | disclosed |