Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.36 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.33 |
| ▸ | S100B | P04271 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19062075 | 0.87 | CYP3A4 (0.48) | ALDH1A1CYP3A4TDP1TSHRHDAC3 | |
| SCHEMBL14183095 | 0.86 | TDP1 (0.41) | ALDH1A1CYP3A4TDP1TSHRHTR1D | |
| SCHEMBL22298075 | 0.83 | CYP3A4 (0.45) | ALDH1A1CYP3A4TDP1TSHRHDAC3 | |
| SCHEMBL25630463 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TDP1TSHRHDAC3 | |
| SCHEMBL14183099 | 0.83 | HTR1D (0.41) | HTR1DSOS1KCNH2HRH3BRD4 | |
| SCHEMBL15157184 | 0.83 | HTR1D (0.38) | TDP1HTR1DIKBKETBK1DHFR | |
| SCHEMBL30432645 | 0.83 | HTR1D (0.38) | TDP1HTR1DIKBKETBK1DHFR | |
| SCHEMBL790114 | 0.81 | BACE1 (0.47) | ALDH1A1CYP3A4TDP1TSHRHTR1D | |
| SCHEMBL14729556 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HTR1DIKBKETBK1DHFR | |
| SCHEMBL14183101 | 0.79 | TP53 (0.39) | ALDH1A1HTR1DSOS1PRMT5WDR77 |
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-3160952-A1 | HISTONE DEMETHYLASE INHIBITORS | Celgene Quanticel Research, Inc. (US) | 2017-05-03 | — | — | EP | disclosed |
| WO-2015200709-A1 | HISTONE DEMETHYLASE INHIBITORS | Quanticel Pharmaceuticals, Inc. (US) | 2015-12-30 | — | — | WO | disclosed |