Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL7778659 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP3A4ALK | |
| SCHEMBL7778648 | 0.90 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP3A4ALKTSHR | |
| SCHEMBL7778664 | 0.87 | CYP1A2 (0.37) | CYP1A2CYP2D6CYP3A4ALKTSHR | |
| SCHEMBL8321037 | 0.85 | LGALS1 (0.35) | CYP1A2CYP2D6TSHRRECQLALDH1A1 | |
| SCHEMBL7776070 | 0.81 | DNM1 (0.46) | CYP1A2CYP2D6TSHRRECQLALDH1A1 | |
| SCHEMBL7777487 | 0.78 | TSHR (0.32) | TSHRRECQLALDH1A1 | |
| SCHEMBL9003394 | 0.75 | LGALS1 (0.36) | CYP1A2CYP2D6TSHRRECQLALDH1A1 | |
| SCHEMBL8316747 | 0.75 | LGALS1 (0.36) | CYP1A2CYP2D6CYP3A4TSHRALDH1A1 | |
| SCHEMBL18030811 | 0.75 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP3A4ALKTSHR | |
| SCHEMBL9003354 | 0.74 | DNM1 (0.37) | CYP1A2CYP2D6ALDH1A1 |
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 4 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 |
| US-5880130-A | TREATMENT OF CELL-PROLIFERATION DISEASES | ZENECA LIMITED (GB) | 1999-03-09 | — | — | US | 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 |