Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21753506 | 1.00 | RAB9A (0.37) | RAB9ANPC1KCNH2CYP1A2CYP2C19 | |
| SCHEMBL21753556 | 0.89 | NPC1 (0.38) | RAB9ANPC1CYP1A2CYP2C19MCHR1 | |
| SCHEMBL21753551 | 0.87 | CHRM1 (0.36) | RAB9ANPC1CTSLEPHX2ALDH1A1 | |
| SCHEMBL21753550 | 0.87 | CHRM1 (0.36) | RAB9ANPC1CTSLEPHX2ALDH1A1 | |
| SCHEMBL21753545 | 0.77 | L3MBTL1 (0.36) | RAB9ANPC1CYP1A2CYP2C19 | |
| SCHEMBL23832290 | 0.71 | CYP1A2 (0.51) | RAB9ANPC1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL4291331 | 0.68 | CYP1A2 (0.51) | RAB9ANPC1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL4291334 | 0.68 | CYP1A2 (0.51) | RAB9ANPC1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL21753547 | 0.68 | SIGMAR1 (0.42) | RAB9ACYP2C19ALDH1A1 | |
| SCHEMBL1339256 | 0.68 | CYP1A2 (0.47) | RAB9ANPC1CYP1A2CYP2C19ALDH1A1 |
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-2020038460-A1 | NOVEL QUINOLINE DERIVATIVE INHIBITOR | 南京药捷安康生物科技有限公司 | 2020-02-27 | — | — | WO | disclosed |