Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MPL | P40238 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | HTR5A | P47898 | 2/20 | 0.34 |
| ▸ | CUL4A | Q13619 | 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 | |
|---|---|---|---|---|
| SCHEMBL113475 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7423355 | 0.93 | CES2 (0.39) | SMN1; SMN2CES2CES1ACHETAAR1 | |
| Bromide SCHEMBL29216576 | 0.93 | CES2 (0.39) | SMN1; SMN2CES2CES1ACHETAAR1 | |
| Iodide SCHEMBL29216564 | 0.93 | CES2 (0.39) | SMN1; SMN2CES2CES1ACHETAAR1 | |
| Nitrogen SCHEMBL28275049 | 0.90 | CES2 (0.38) | SMN1; SMN2CES2CES1KDM4EALDH1A1 | |
| SCHEMBL8916116 | 0.83 | TAAR1 (0.46) | CES2CES1KDM4EALDH1A1ACHE | |
| SCHEMBL601969 | 0.81 | — | — | |
| SCHEMBL29803091 | 0.81 | — | — | |
| Urea SCHEMBL28869223 | 0.79 | CES2 (0.46) | SMN1; SMN2CES2CES1ALDH1A1HDAC1 | |
| Phenol SCHEMBL27889282 | 0.79 | CA14 (0.52) | CES2CES1ALDH1A1CYP3A4CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2231701-B1 | PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES | CADILA HEALTHCARE LTD (IN) | 2012-04-18 | — | — | EP | claimed |