Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8998868 | 1.00 | PTGS2 (0.43) | PTGS2CES2CES1NPC1RAB9A | |
| SCHEMBL8999003 | 0.84 | KMT2A (0.47) | PTGS2CES1NPC1RAB9AMEN1 | |
| SCHEMBL8999015 | 0.84 | KMT2A (0.47) | PTGS2CES1NPC1RAB9AMEN1 | |
| SCHEMBL8998914 | 0.72 | CES2 (0.42) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL8998917 | 0.72 | CES2 (0.42) | CES2CES1NPC1RAB9AMEN1 | |
| SCHEMBL9026538 | 0.71 | PTGS2 (0.73) | PTGS2CES2CES1NPC1RAB9A | |
| SCHEMBL9026535 | 0.71 | PTGS2 (0.73) | PTGS2CES2CES1NPC1RAB9A | |
| SCHEMBL29222532 | 0.71 | PTGS2 (0.68) | PTGS2CES2CES1NPC1RAB9A | |
| SCHEMBL8999068 | 0.71 | ESR1 (0.42) | PTGS2CES2CES1NPC1RAB9A | |
| SCHEMBL8999059 | 0.71 | ESR1 (0.42) | PTGS2CES2CES1NPC1RAB9A |
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 |