Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20631143 | 0.75 | ALOX5 (0.36) | ALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL20631138 | 0.74 | GRIA2 (0.35) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL9797400 | 0.71 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDPARP14MEN1 | |
| SCHEMBL23937907 | 0.70 | ALOX5 (0.33) | ALDH1A1KDM4EHPGDKMT2ANPC1 | |
| SCHEMBL20673851 | 0.70 | TSHR (0.39) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL23937908 | 0.69 | ALOX5 (0.35) | KDM4E | |
| SCHEMBL20631114 | 0.68 | CNR2 (0.38) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL20631141 | 0.68 | FABP4 (0.39) | KDM4EMEN1KMT2AGFER | |
| SCHEMBL19995850 | 0.67 | ALDH1A1 (0.44) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL20631117 | 0.67 | MEN1 (0.35) | ALDH1A1KDM4EHPGDMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |
| WO-2019010295-A1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LIMITED (KY) | 2019-01-10 | — | — | WO | disclosed |