Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4462535 | 0.88 | CDK1 (0.44) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL4564902 | 0.84 | CDK1 (0.46) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL4458806 | 0.83 | PDE4A (0.49) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL4452461 | 0.83 | CYP3A4 (0.51) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL380633 | 0.82 | CDK1 (0.62) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL13866472 | 0.82 | CDK1 (0.62) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL4464767 | 0.80 | CDK1 (0.47) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL14400799 | 0.80 | CDK1 (0.48) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL8353775 | 0.78 | CDK1 (0.44) | CDK1MAPTTP53MAPK1TDP1 | |
| SCHEMBL8353365 | 0.77 | CDK1 (0.42) | CDK1MAPTTP53MAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003011864-A1 | DERIVATIVES OF TRIAZOLYL-IMIDAZOPYRIDINE AND OF THE TRIAZOLYLPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2a RECEPTOR AND THEIR USE AS MEDICAMENTS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2003-02-13 | — | — | WO | disclosed |