Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 6/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.31 |
| ▸ | CHRNA6 | Q15825 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28074868 | 1.00 | PKM (0.36) | PKMKDM1ACHRNB2CHRNA4SLC1A2 | |
| Trifluoroacetic Acid SCHEMBL30733240 | 0.79 | SLC1A2 (0.37) | KDM1ACHRNB2CHRNA4SLC1A2DPP4 | |
| Trifluoroacetic Acid SCHEMBL28720033 | 0.79 | SLC1A2 (0.37) | KDM1ACHRNB2CHRNA4SLC1A2DPP4 | |
| SCHEMBL27273015 | 0.78 | — | — | |
| SCHEMBL9347890 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL7018855 | 0.77 | KDM1A (0.34) | PKMKDM1ACHRNB2CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL28926044 | 0.77 | KDM1A (0.34) | PKMKDM1ACHRNB2CHRNA4 | |
| Trifluoroacetic Acid SCHEMBL26606130 | 0.77 | SLC1A2 (0.35) | KDM1ACHRNB2CHRNA4SLC1A2 | |
| Trifluoroacetic Acid SCHEMBL18614506 | 0.77 | SLC1A2 (0.43) | PKMKDM1ACHRNB2CHRNA4SLC1A2 | |
| Trifluoroacetic Acid SCHEMBL28631777 | 0.76 | SLC1A2 (0.38) | KDM1ACHRNB2CHRNA4SLC1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107892684-A | Quinazoline derivant and its pharmaceutical composition, and the purposes as medicine | 锦州奥鸿药业有限责任公司 | 2018-04-10 | — | — | CN | disclosed |
| CN-105705494-B | Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments | 锦州奥鸿药业有限责任公司 | 2017-12-15 | — | — | CN | disclosed |
| CN-105705494-A | Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments | 锦州奥鸿药业有限责任公司 | 2016-06-22 | — | — | CN | disclosed |