Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187127 | 1.00 | THRB (0.38) | THRBSMN1; SMN2CYP2C19NPC1ALDH1A1 | |
| SCHEMBL21187123 | 1.00 | THRB (0.38) | THRBSMN1; SMN2CYP2C19NPC1ALDH1A1 | |
| SCHEMBL21176925 | 0.85 | NPC1 (0.37) | THRBSMN1; SMN2CYP2C19NPC1ALDH1A1 | |
| SCHEMBL21176926 | 0.85 | NPC1 (0.37) | THRBSMN1; SMN2CYP2C19NPC1ALDH1A1 | |
| SCHEMBL21187116 | 0.82 | SMN1; SMN2 (0.39) | SMN1; SMN2CYP2C19NPC1ALDH1A1EPHX1 | |
| SCHEMBL21187152 | 0.78 | ROCK2 (0.44) | ALDH1A1GAA | |
| SCHEMBL21187136 | 0.78 | SMN1; SMN2 (0.40) | THRBSMN1; SMN2ALDH1A1EPHX2 | |
| SCHEMBL21187130 | 0.77 | SMN1; SMN2 (0.39) | THRBSMN1; SMN2ALDH1A1CYP2C9EPHX2 | |
| SCHEMBL21187155 | 0.77 | KMT2A (0.37) | THRBSMN1; SMN2CYP2C19NPC1ALDH1A1 | |
| SCHEMBL21187121 | 0.72 | MEN1 (0.46) | THRBCYP2C19NPC1ALDH1A1EPHX1 |
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 |