Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26674921 | 1.00 | BACE1 (0.46) | BACE1DHFRADORA2AADORA1ALDH1A1 | |
| SCHEMBL28433430 | 0.88 | NR1I3 (0.44) | BACE1DHFRADORA2AADORA1NR1I3 | |
| SCHEMBL28110410 | 0.81 | CYP1A2 (0.58) | BACE1DHFRADORA2AADORA1NR1I3 | |
| SCHEMBL26674918 | 0.81 | NPC1 (0.50) | DHFRADORA1ALDH1A1EGFRMEN1 | |
| SCHEMBL29529153 | 0.81 | NPC1 (0.50) | DHFRADORA1ALDH1A1EGFRMEN1 | |
| SCHEMBL26674961 | 0.79 | HTR3A (0.49) | DHFRADORA2AADORA1ALDH1A1EGFR | |
| SCHEMBL28031380 | 0.78 | AXL (0.50) | ALDH1A1EGFRCYP1A2MEN1F2 | |
| SCHEMBL2131570 | 0.77 | DHFR (0.51) | BACE1DHFRADORA2AADORA1ALDH1A1 | |
| SCHEMBL29529033 | 0.77 | CYP1A2 (0.64) | ALDH1A1EGFRCYP1A2MEN1LMNA | |
| SCHEMBL26674960 | 0.77 | CYP1A2 (0.64) | ALDH1A1EGFRCYP1A2MEN1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022065894-A1 | NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF | 한양대학교 에리카산학협력단 | 2022-03-31 | — | — | WO | disclosed |