Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL8999059 | 1.00 | ESR1 (0.42) | ESR1CES2CES1LMNAPOLB | |
| SCHEMBL8998917 | 0.89 | CES2 (0.42) | ESR1CES2CES1LMNAPOLB | |
| SCHEMBL8998914 | 0.89 | CES2 (0.42) | ESR1CES2CES1LMNAPOLB | |
| SCHEMBL8998974 | 0.81 | ESR1 (0.39) | ESR1CES2CES1LMNAPOLB | |
| SCHEMBL8998970 | 0.81 | ESR1 (0.39) | ESR1CES2CES1LMNAPOLB | |
| SCHEMBL3656550 | 0.76 | CES2 (0.33) | CES2CES1 | |
| SCHEMBL21215215 | 0.75 | ESR1 (0.69) | ESR1CES2CES1LMNAPOLB | |
| SCHEMBL11622030 | 0.73 | RAB9A (0.56) | CES2CES1LMNANPC1RAB9A | |
| SCHEMBL15301748 | 0.71 | CES2 (0.65) | ESR1CES2CES1LMNAPOLB | |
| SCHEMBL69743 | 0.71 | CES2 (0.65) | ESR1CES2CES1LMNAPOLB |
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 |