Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.49 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16436780 | 0.88 | MEN1 (0.59) | CYP1A2MEN1KMT2AATMADORA2A | |
| SCHEMBL17412545 | 0.86 | MEN1 (0.64) | MEN1KMT2AATMADORA2ANUDT1 | |
| SCHEMBL24589733 | 0.84 | METAP1 (0.52) | CYP1A2MEN1KMT2ATGFBR1MAPK14 | |
| SCHEMBL13911018 | 0.83 | MEN1 (0.64) | MEN1KMT2AATMADORA2ANUDT1 | |
| SCHEMBL24589842 | 0.81 | TSHR (0.49) | CYP1A2MEN1KMT2ATGFBR1MAPK14 | |
| SCHEMBL9920500 | 0.80 | MEN1 (0.70) | MEN1KMT2AATMADORA2ANUDT1 | |
| SCHEMBL15940567 | 0.80 | L3MBTL1 (0.53) | CYP1A2MEN1KMT2AADORA2ATGFBR1 | |
| SCHEMBL21131884 | 0.79 | CYP1A2 (0.53) | CYP1A2MEN1KMT2AATMTGFBR1 | |
| SCHEMBL4499365 | 0.79 | CYP1A2 (0.54) | CYP1A2ADORA2ATGFBR1MAPK14ALDH1A1 | |
| SCHEMBL2913642 | 0.79 | METAP1 (0.64) | MEN1KMT2AATMALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-111700894-B | Application of 2-azaarene substituted quinazoline compound in preparation of antitumor drugs | 南方医科大学 | 2023-07-28 | — | — | CN | disclosed |
| CN-111700894-A | Application of 2-azaarene substituted quinazoline compound in preparation of antitumor drugs | 南方医科大学 | 2020-09-25 | — | — | CN | disclosed |