Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778648 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP3A4ALKTSHR | |
| SCHEMBL7778659 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP3A4ALK | |
| SCHEMBL7778645 | 0.87 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP3A4ALKTSHR | |
| SCHEMBL7776039 | 0.82 | LGALS1 (0.46) | CYP1A2CYP2D6TSHRLGALS1CA12 | |
| SCHEMBL18030811 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP3A4ALKTSHR | |
| SCHEMBL16303440 | 0.79 | TSHR (0.35) | TSHRMAPK1MEN1KMT2A | |
| SCHEMBL22083675 | 0.77 | DNM1 (0.50) | TSHRLGALS1NPSR1 | |
| SCHEMBL7713617 | 0.77 | ALDH1A1 (0.46) | TSHRMAPK1MEN1KMT2A | |
| SCHEMBL7778641 | 0.77 | CA12 (0.37) | CYP1A2CYP2D6CYP3A4CA12CA1 | |
| SCHEMBL7778631 | 0.76 | TSHR (0.35) | CYP1A2TSHRMAPK1MEN1KMT2A |
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 |