Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778675 | 0.87 | TSHR (0.37) | GAATSHRALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3426931 | 0.85 | TSHR (0.43) | TSHRALDH1A1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL3426932 | 0.82 | TSHR (0.50) | GAATSHRALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9046109 | 0.82 | TSHR (0.40) | GAATSHRALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3430953 | 0.79 | — | — | |
| SCHEMBL4599949 | 0.79 | — | — | |
| SCHEMBL23119252 | 0.78 | GAA (0.44) | GAATSHRALDH1A1KDM4EMEN1 | |
| SCHEMBL5175425 | 0.77 | TSHR (0.40) | GAATSHRMEN1KMT2AMAPK1 | |
| SCHEMBL4275729 | 0.77 | GAA (0.47) | GAATSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL9047549 | 0.77 | TSHR (0.40) | GAATSHRALDH1A1KDM4EMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0733045-B1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ASTRAZENECA AB (SE) | 2001-08-16 | — | — | EP | disclosed |
| EP-0733045-A1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ZENECA LIMITED (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995015952-A1 | 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS | ZENECA LIMITED (GB) | 1995-06-15 | — | — | WO | disclosed |