Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.52 |
| ▸ | TACR2 | P21452 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TST | Q16762 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL52058 | 0.85 | ESR1 (0.68) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 | |
| Propane SCHEMBL27849526 | 0.83 | ESR1 (0.65) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 | |
| SCHEMBL7522208 | 0.83 | ESR1 (0.65) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 | |
| SCHEMBL27871025 | 0.83 | ESR1 (0.65) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 | |
| SCHEMBL28362116 | 0.83 | ESR1 (0.65) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 | |
| SCHEMBL27544424 | 0.83 | ESR1 (0.65) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 | |
| Ammonia Solution, Strong SCHEMBL10585303 | 0.83 | ESR1 (0.65) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 | |
| SCHEMBL21632756 | 0.83 | ESR1 (0.74) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 | |
| SCHEMBL926427 | 0.80 | APP (0.52) | ESR1ESR2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL17609119 | 0.79 | ESR1 (0.45) | ESR1ESR2ALDH1A1ADRA2ASLC6A2 |
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-3193601-A1 | HISTONE DEMETHYLASE INHIBITORS | Celgene Quanticel Research, Inc. (US) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016044429-A1 | HISTONE DEMETHYLASE INHIBITORS | Quanticel Pharmaceuticals, Inc. (US) | 2016-03-24 | — | — | WO | disclosed |