Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCDIN3D | Q7Z5W3 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | PRKCA | P17252 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3444649 | 0.93 | CDK5 (0.40) | BCDIN3DALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL3445311 | 0.92 | FLT3 (0.45) | BCDIN3DALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL3445469 | 0.89 | BCDIN3D (0.46) | BCDIN3DCDK5CDK5R1MEN1KMT2A | |
| SCHEMBL3444625 | 0.88 | BCDIN3D (0.41) | BCDIN3DKDM4ECDK5CDK5R1CDK1 | |
| SCHEMBL3445484 | 0.87 | KDM4E (0.49) | BCDIN3DALDH1A1LMNAKDM4ECDK1 | |
| SCHEMBL3444519 | 0.87 | CDK1 (0.49) | BCDIN3DALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL3445716 | 0.86 | BCDIN3D (0.49) | BCDIN3DCDK1 | |
| SCHEMBL3445942 | 0.86 | CDK1 (0.52) | ALDH1A1LMNAKDM4ESMN1; SMN2MAPT | |
| SCHEMBL3445753 | 0.85 | CDK5 (0.49) | BCDIN3DALDH1A1LMNAKDM4EHPGD | |
| SCHEMBL3444530 | 0.85 | CLK1 (0.44) | BCDIN3DALDH1A1LMNAKDM4EHPGD |
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 |