Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | GPR183 | P32249 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL10254846 | 0.81 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL14416457 | 0.81 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3605644 | 0.81 | TDP1 (0.50) | ALDH1A1LMNATDP1KDM4EGAA | |
| SCHEMBL5265029 | 0.81 | NFE2L2 (0.55) | NFE2L2ALDH1A1CYP3A4RECQLMIF | |
| SCHEMBL3605648 | 0.81 | TDP1 (0.50) | ALDH1A1LMNATDP1KDM4EGAA | |
| SCHEMBL5841570 | 0.79 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL5841566 | 0.79 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL22038315 | 0.78 | NFE2L2 (0.50) | NFE2L2ALDH1A1CYP3A4RECQLMIF | |
| SCHEMBL22122733 | 0.78 | NPC1 (0.37) | ALDH1A1CYP3A4RECQLLMNATDP1 | |
| SCHEMBL22145213 | 0.78 | NPC1 (0.37) | ALDH1A1CYP3A4RECQLLMNATDP1 |
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-3177285-A1 | [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2017-06-14 | — | — | EP | disclosed |
| WO-2016022446-A1 | [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |