Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26184965 | 0.88 | MAPT (0.38) | NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL891238 | 0.84 | GPR55 (0.41) | HTR1ADRD2TP53SMN1; SMN2ADORA2A | |
| SCHEMBL28264477 | 0.81 | ESR1 (0.42) | NPC1RAB9ASMN1; SMN2ABL1 | |
| SCHEMBL28320847 | 0.81 | ADORA3 (0.43) | NPC1TP53RAB9ASMN1; SMN2ADORA2A | |
| SCHEMBL28869311 | 0.78 | XDH (0.33) | HTR1ADRD2NPC1TP53RAB9A | |
| SCHEMBL28217059 | 0.78 | SMN1; SMN2 (0.46) | MAPK14NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL27988315 | 0.75 | PTGS2 (0.57) | PTGS2PTGS1 | |
| SCHEMBL21879687 | 0.74 | IMPDH2 (0.38) | DRD2 | |
| SCHEMBL27704885 | 0.74 | CFD (0.38) | HTR1ADRD2ADORA2AADORA1 | |
| SCHEMBL20691214 | 0.71 | MAP4K4 (0.46) | NPC1RAB9AMAP4K4DYRK1ADYRK1B |
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-108440515-A | Substituted benzofuranyl and benzoxazole based compound and application thereof | 卡尔约药物治疗公司 | 2018-08-24 | — | — | CN | disclosed |
| CN-105492437-B | Substituted benzofuranyl and benzoxazolyl compounds and uses thereof | 卡尔约药物治疗公司 | 2018-05-11 | — | — | CN | disclosed |