Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF18A | Q8NI77 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL5035035 | 0.93 | MAPK1 (0.55) | MAPK1HTTKMT2AKDM4EHPGD | |
| SCHEMBL5035073 | 0.93 | KMT2A (0.49) | MAPK1HTTKMT2AKDM4EHPGD | |
| SCHEMBL5036491 | 0.91 | KMT2A (0.44) | KIF18AMAPK1HTTKMT2AKDM4E | |
| SCHEMBL5039198 | 0.90 | CA2 (0.48) | MAPK1KMT2AKDM4EHPGDCYP2C9 | |
| SCHEMBL5041442 | 0.90 | KDM4E (0.45) | MAPK1HTTKMT2AKDM4EHPGD | |
| SCHEMBL5045362 | 0.88 | MAPK1 (0.60) | KIF18AMAPK1HTTKMT2AKDM4E | |
| SCHEMBL5035039 | 0.87 | SMN1; SMN2 (0.41) | KIF18AMAPK1HTTKMT2AKDM4E | |
| SCHEMBL5039113 | 0.87 | HPGD (0.42) | KIF18AMAPK1HTTKMT2AKDM4E | |
| SCHEMBL5132933 | 0.87 | MAPK1 (0.53) | MAPK1HTTKMT2AKDM4EHPGD | |
| SCHEMBL5041463 | 0.86 | EPHX2 (0.57) | MAPK1HTTKMT2AKDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1761541-B1 | PYRRAZOLO-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-09 | — | — | EP | claimed |