Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8459772 | 0.81 | ESR2 (0.45) | ESR2BACE1ALOX5ALDH1A1HPGD | |
| SCHEMBL10617137 | 0.81 | ESR2 (0.55) | ESR2ELANEBACE1ALOX5ALDH1A1 | |
| Methane SCHEMBL28025030 | 0.79 | ESR2 (0.53) | ESR2ELANEBACE1ALOX5ALDH1A1 | |
| SCHEMBL1513737 | 0.79 | ESR2 (0.53) | ESR2ELANEBACE1ALOX5ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27687172 | 0.79 | ESR2 (0.44) | ESR2BACE1ALOX5ALDH1A1HPGD | |
| Methane SCHEMBL27747305 | 0.79 | ESR2 (0.44) | ESR2BACE1ALOX5ALDH1A1HPGD | |
| SCHEMBL15861964 | 0.79 | AKR1C3 (0.52) | ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL25954438 | 0.78 | ESR2 (0.42) | ESR2ALDH1A1CYP2A6CYP2B6ALOX5AP | |
| SCHEMBL15856373 | 0.78 | ESR2 (0.42) | ESR2ALDH1A1HSD17B10CYP2A6CYP2B6 | |
| SCHEMBL23789229 | 0.76 | ESR2 (0.41) | ESR2ALDH1A1CYP2A6CYP2B6ALOX5AP |
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 |
|---|---|---|---|---|---|---|---|
| EP-2615918-A1 | FATTY ACID SYNTHASE INHIBITORS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037298-A1 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |