Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.69 |
| ▸ | RAB9A | P51151 | 6/20 | 0.69 |
| ▸ | PKM | P14618 | 3/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | GAA | P10253 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | CASP6 | P55212 | 1/20 | 0.61 |
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | UGCG | Q16739 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.50 |
| ▸ | RELA | Q04206 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28630259 | 0.87 | NPC1 (0.73) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL29611011 | 0.82 | NPC1 (1.00) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL5579208 | 0.82 | NPC1 (1.00) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL30666441 | 0.82 | NPC1 (0.74) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL29128053 | 0.82 | NPC1 (0.74) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL29874794 | 0.81 | NPC1 (1.00) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL4188221 | 0.81 | NPC1 (1.00) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL30910320 | 0.81 | NPC1 (0.68) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL28883282 | 0.81 | NPC1 (0.68) | NPC1RAB9APKMKMT2AGAA | |
| SCHEMBL10085509 | 0.81 | NPC1 (0.69) | NPC1RAB9APKMKMT2AGAA |
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-3778586-A1 | QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF | East China University of Science and Technology (CN) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019196938-A1 | QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | disclosed |