Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL21187125 | 0.87 | IDO1 (0.50) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21187127 | 0.82 | THRB (0.38) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21187193 | 0.82 | THRB (0.38) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21187123 | 0.82 | THRB (0.38) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21187085 | 0.81 | IDO1 (0.55) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21187113 | 0.81 | IDO1 (0.55) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21176926 | 0.79 | NPC1 (0.37) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21176925 | 0.79 | NPC1 (0.37) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21187199 | 0.78 | FPR1 (0.47) | SMN1; SMN2NPC1ALDH1A1EPHX1RAB9A | |
| SCHEMBL17731108 | 0.76 | IDO1 (0.55) | SMN1; SMN2CYP2C9IDO1CYP3A4 |
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 |