Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28470723 | 0.83 | ALOX15 (0.54) | HRH3KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL3418416 | 0.73 | APEX1 (0.47) | KDM4EHSD17B10MAPTHPGDDAO | |
| SCHEMBL28578488 | 0.73 | KDM4E (0.54) | EIF4A3KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL2950369 | 0.72 | HRH3 (0.53) | HRH3KDM4EHSD17B10HPGDROCK2 | |
| SCHEMBL6120734 | 0.71 | TDP1 (0.49) | TDP1LMNATSHR | |
| SCHEMBL28079180 | 0.71 | SMAD3 (0.47) | HRH3KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL30909340 | 0.71 | HSD17B10 (0.51) | EIF4A3KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL30909341 | 0.71 | HSD17B10 (0.51) | EIF4A3KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL29865102 | 0.71 | EIF4A3 (0.55) | EIF4A3KDM4EHSD17B10MAPTHPGD | |
| SCHEMBL3033200 | 0.71 | EIF4A3 (0.55) | EIF4A3KDM4EHSD17B10MAPTHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111808079-A | Indole ASK1 small molecule inhibitor and preparation method and application thereof | 中国药科大学 | 2020-10-23 | — | — | CN | disclosed |