Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | SNCA | P37840 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8999238 | 1.00 | CES2 (0.53) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL14756543 | 0.81 | CES2 (0.69) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL68718 | 0.81 | CES2 (0.69) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL68719 | 0.81 | CES2 (0.69) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL8999241 | 0.79 | CES2 (0.49) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL8999233 | 0.79 | CES2 (0.49) | CES2CES1ALDH1A1TRPA1TSHR | |
| SCHEMBL8998998 | 0.79 | CES2 (0.47) | CES2CES1ALDH1A1TSHRCYP19A1 | |
| SCHEMBL8998995 | 0.79 | CES2 (0.47) | CES2CES1ALDH1A1TSHRCYP19A1 | |
| SCHEMBL21241545 | 0.73 | CES2 (0.58) | CES2CES1ALDH1A1TRPA1TSHR | |
| Benzyl Bromide SCHEMBL28292772 | 0.72 | ALDH1A1 (0.74) | CES2CES1ALDH1A1TRPA1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5554624-A | CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS | J. URIACH & CIA. (ES) | 1996-09-10 | — | — | US | disclosed |
| EP-0669333-A1 | New imidazopyridine derivatives as angiotensin II antagonists | J. URIACH & CIA. S.A. (ES) | 1995-08-30 | — | — | EP | disclosed |