Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCDIN3D | Q7Z5W3 | 3/20 | 0.59 |
| ▸ | CDK2 | P24941 | 5/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.49 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.49 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.49 |
| ▸ | CDK1 | P06493 | 5/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.45 |
| ▸ | CDK4 | P11802 | 3/20 | 0.45 |
| ▸ | CCND1 | P24385 | 2/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.45 |
| ▸ | CLK1 | P49759 | 12/20 | 0.42 |
| ▸ | CLK2 | P49760 | 12/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 11/20 | 0.42 |
| ▸ | CCND3 | P30281 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3445555 | 0.90 | BCDIN3D (0.53) | BCDIN3DCDK2CCNA2CCNE1CCNE2 | |
| SCHEMBL3445887 | 0.89 | CDK2 (0.53) | BCDIN3DCDK2CCNA2CCNE1CCNE2 | |
| SCHEMBL3446709 | 0.86 | CCNE1 (0.52) | CDK2CCNA2CCNE1CCNE2CCNA1 | |
| SCHEMBL3445472 | 0.85 | CLK1 (0.51) | BCDIN3DCDK2CCNA2CCNE1CDK1 | |
| SCHEMBL3446010 | 0.85 | CDK2 (0.61) | BCDIN3DCDK2CCNA2CCNE1CCNE2 | |
| SCHEMBL3445803 | 0.84 | BCDIN3D (0.49) | BCDIN3DCDK2CCNA2CCNE1CCNE2 | |
| SCHEMBL3446418 | 0.83 | CDK2 (0.51) | BCDIN3DCDK2CCNA2CCNE1CCNE2 | |
| SCHEMBL3444797 | 0.82 | CDK2 (0.51) | BCDIN3DCDK2CCNA2CCNE1CCNE2 | |
| SCHEMBL3445295 | 0.81 | BCDIN3D (0.49) | BCDIN3DCDK2CCNA2CCNE1CCNE2 | |
| SCHEMBL3445851 | 0.81 | BCDIN3D (0.48) | BCDIN3DCDK2CCNA2CCNE1CCNE2 |
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 |