Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | IDH2 | P48735 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5036491 | 0.94 | KMT2A (0.44) | KMT2AHTTKDM4EMAPK1MAPT | |
| SCHEMBL5132933 | 0.94 | MAPK1 (0.53) | KMT2AHTTKDM4EMAPK1EPHX2 | |
| SCHEMBL5032644 | 0.93 | KMT2A (0.52) | KMT2AHTTKDM4EMAPK1EPHX2 | |
| SCHEMBL5036065 | 0.92 | ALDH1A1 (0.45) | KMT2AHTTKDM4EMAPK1MAPT | |
| SCHEMBL5035035 | 0.92 | MAPK1 (0.55) | KMT2AHTTKDM4EMAPK1EPHX2 | |
| SCHEMBL5048355 | 0.90 | MAPK1 (0.65) | KMT2AHTTKDM4EMAPK1EPHX2 | |
| SCHEMBL5041529 | 0.89 | KDM4E (0.42) | KMT2AKDM4EMAPK1MAPTMEN1 | |
| SCHEMBL5041463 | 0.89 | EPHX2 (0.57) | KMT2AHTTKDM4EMAPK1EPHX2 | |
| SCHEMBL5034989 | 0.87 | ALDH1A1 (0.40) | KMT2AHTTKDM4EMAPK1IDH2 | |
| SCHEMBL5132977 | 0.86 | KMT2A (0.50) | KMT2AHTTKDM4EMAPK1EPHX2 |
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 |