Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 5/20 | 0.45 |
| ▸ | RPS6KA1 | Q15418 | 3/20 | 0.45 |
| ▸ | GRK2 | P25098 | 1/20 | 0.45 |
| ▸ | GRK5 | P34947 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4833473 | 0.75 | ROCK2 (0.52) | RAB9AROCK1ROCK2POLBDYRK3 | |
| SCHEMBL21187152 | 0.75 | ROCK2 (0.44) | ROCK1RPS6KB1ROCK2CCR2POLB | |
| SCHEMBL21187132 | 0.72 | MAOA (0.48) | NPC1RAB9ACYP2C9 | |
| SCHEMBL21187147 | 0.72 | EPHX1 (0.45) | NPC1RAB9A | |
| SCHEMBL6312939 | 0.68 | ROCK1 (0.77) | NPC1RAB9AROCK1RPS6KB1ROCK2 | |
| SCHEMBL21187163 | 0.68 | GRM5 (0.39) | NPC1RAB9ATRPV1 | |
| SCHEMBL15554029 | 0.67 | TLR9 (0.50) | RAB9AROCK1ROCK2CYP2D6DYRK3 | |
| SCHEMBL13122164 | 0.67 | ROCK2 (0.69) | ROCK1ROCK2CCR2CYP3A4 | |
| SCHEMBL5414918 | 0.66 | NPC1 (0.85) | NPC1RAB9AROCK1RPS6KB1ROCK2 | |
| Hydrochloric Acid SCHEMBL31110471 | 0.66 | TLR9 (0.49) | RAB9AROCK1ROCK2CYP2D6CSNK2A1 |
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-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |