Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL22079498 | 0.81 | CYP2A6 (0.47) | KDM4ETDP1ALDH1A1MAPTHPGD | |
| SCHEMBL21530647 | 0.81 | KDM4E (0.37) | KDM4ETDP1ALDH1A1MAPTHPGD | |
| SCHEMBL14294457 | 0.81 | NPC1 (0.39) | KDM4ETDP1ALDH1A1MAPTHPGD | |
| SCHEMBL21621627 | 0.81 | KDM4E (0.37) | KDM4ETDP1ALDH1A1MAPTHPGD | |
| SCHEMBL23623787 | 0.77 | MAPT (0.38) | KDM4ETDP1ALDH1A1MAPTHPGD | |
| SCHEMBL19184943 | 0.77 | ABCB1 (0.34) | KDM4ETDP1ALDH1A1MAPTHPGD | |
| SCHEMBL10650165 | 0.76 | KDM4E (0.39) | KDM4ETDP1ALDH1A1MAPTHPGD | |
| SCHEMBL6400598 | 0.74 | ABCB1 (0.34) | KDM4ETDP1ALDH1A1MAPTHPGD | |
| SCHEMBL506620 | 0.73 | NPC1 (0.51) | KDM4ETDP1ALDH1A1HSD17B10NPC1 | |
| SCHEMBL19117783 | 0.72 | KDM4E (0.39) | KDM4ETDP1ALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020011246-A1 | BENZENE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 广州丹康医药生物有限公司 | 2020-01-16 | — | — | WO | disclosed |
| EP-1289980-B1 | BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2004-11-17 | — | — | EP | disclosed |