Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 8/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.70 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.70 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | CLK1 | P49759 | 2/20 | 0.70 |
| ▸ | HPGD | P15428 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.70 |
| ▸ | CDK5 | Q00535 | 12/20 | 0.53 |
| ▸ | CDK5R1 | Q15078 | 12/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3444585 | 1.00 | CDK1 (0.70) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3445809 | 0.90 | CDK1 (0.71) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3445812 | 0.90 | CDK1 (0.71) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3444842 | 0.90 | CDK1 (0.67) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3444849 | 0.90 | CDK1 (0.67) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3445510 | 0.87 | CDK1 (0.54) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3444422 | 0.86 | CDK1 (0.72) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3444426 | 0.86 | CDK1 (0.72) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3445412 | 0.86 | CDK1 (0.68) | CDK1KDM4ECCNB2ALDH1A1CCNB1 | |
| SCHEMBL3445410 | 0.86 | CDK1 (0.68) | CDK1KDM4ECCNB2ALDH1A1CCNB1 |
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 |