Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL9345089 | 0.86 | FDPS (0.46) | FDPSKMT2ACYP2D6MEN1LMNA | |
| SCHEMBL6050108 | 0.83 | FDPS (0.44) | FDPSKMT2ACYP2D6MEN1LMNA | |
| Hydrochloric Acid SCHEMBL7423281 | 0.81 | FDPS (0.42) | FDPSKMT2ACYP2D6MEN1LMNA | |
| SCHEMBL26785171 | 0.80 | FDPS (0.45) | FDPSKMT2ACYP2D6MEN1LMNA | |
| SCHEMBL27638711 | 0.79 | FDPS (0.41) | FDPSKMT2ACYP2D6MEN1LMNA | |
| SCHEMBL13295367 | 0.79 | CHRNB2 (0.41) | FDPSKMT2ACYP2D6MEN1LMNA | |
| SCHEMBL27774215 | 0.79 | FDPS (0.41) | FDPSKMT2ACYP2D6MEN1LMNA | |
| SCHEMBL23870929 | 0.78 | FDPS (0.43) | FDPSKMT2ACYP2D6MEN1LMNA | |
| SCHEMBL20401407 | 0.77 | CHRNA3 (0.43) | FDPSCHRM3 | |
| SCHEMBL29028812 | 0.76 | THRB (0.39) | FDPSKMT2ACYP2D6MEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103524559-B | Ester derivant of polysubstituted 4-methylamino benzenecarboximidamide and its production and use | 西藏海思科药业集团股份有限公司 | 2016-09-28 | — | — | CN | disclosed |