Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 10/20 | 0.44 |
| ▸ | CDK1 | P06493 | 5/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 9/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3444882 | 0.91 | CLK1 (0.46) | CLK1CDK1CCNB1MEN1KMT2A | |
| SCHEMBL3444409 | 0.88 | CLK1 (0.48) | CLK1CDK1CCNB1MEN1KMT2A | |
| SCHEMBL3445942 | 0.87 | CDK1 (0.52) | CLK1CDK1CCNB1MEN1KMT2A | |
| SCHEMBL3445810 | 0.87 | CLK1 (0.47) | CLK1CDK1CCNB1MEN1KMT2A | |
| SCHEMBL3445484 | 0.87 | KDM4E (0.49) | CDK1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL3446013 | 0.85 | BCDIN3D (0.41) | CDK1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL3444649 | 0.85 | CDK5 (0.40) | CDK1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL3445162 | 0.83 | MEN1 (0.50) | MEN1KMT2AKDM4EALDH1A1TP53 | |
| SCHEMBL3444842 | 0.82 | CDK1 (0.67) | CLK1CDK1CCNB1MEN1KMT2A | |
| SCHEMBL3444849 | 0.82 | CDK1 (0.67) | CLK1CDK1CCNB1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7816350-B2 | Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2010-10-19 | — | — | US | claimed |