Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.50 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.50 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.50 |
| ▸ | ACACA | Q13085 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29368241 | 1.00 | KMT2A (0.58) | KMT2AADORA2AMAPTTP53TSHR | |
| SCHEMBL29372601 | 0.78 | KMT2A (0.60) | KMT2AADORA2AMAPTTP53TSHR | |
| SCHEMBL18376867 | 0.78 | KMT2A (0.60) | KMT2AADORA2AMAPTTP53TSHR | |
| SCHEMBL18376635 | 0.78 | PTGS2 (0.50) | — | |
| SCHEMBL29371782 | 0.78 | PTGS2 (0.50) | — | |
| SCHEMBL30482737 | 0.75 | DHFR (0.61) | KMT2AADORA2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL264291 | 0.75 | KMT2A (0.73) | KMT2AMAPTTP53TSHRMAPK1 | |
| SCHEMBL30488020 | 0.75 | KMT2A (0.73) | KMT2AMAPTTP53TSHRMAPK1 | |
| SCHEMBL29205101 | 0.75 | MERTK (0.45) | KMT2AMAPTTP53TSHRMAPK1 | |
| SCHEMBL18376580 | 0.74 | JAK1 (0.53) | PTK2BLMNACDC25ACDC25B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113999180-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2022-02-01 | — | — | CN | claimed |
| CN-106316965-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2017-01-11 | — | — | CN | claimed |
| CN-113999180-B | Quinazoline compound, intermediate, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-113999180-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-106316965-B | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2021-08-27 | — | — | CN | disclosed |
| WO-2017005137-A1 | QUINAZOLINE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF | 吉林大学 | 2017-01-12 | — | — | WO | disclosed |
| CN-106316965-A | Quinazoline compound, intermediate thereof, preparation method, pharmaceutical composition and application | 上海医药集团股份有限公司 | 2017-01-11 | — | — | CN | disclosed |