Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.44 |
| ▸ | HEXA | P06865 | 1/20 | 0.44 |
| ▸ | HEXB | P07686 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | USP7 | Q93009 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | AKT2 | P31751 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11638199 | 0.86 | KDM4E (0.44) | DHFRHEXAHEXBKDM4EUSP7 | |
| SCHEMBL28006652 | 0.81 | HSD11B1 (0.45) | DHFRHEXAHEXBKDM4EGCGR | |
| SCHEMBL7060341 | 0.78 | DHFR (0.52) | DHFRGCGR | |
| SCHEMBL2882017 | 0.78 | DHFR (0.52) | DHFRGCGR | |
| SCHEMBL25014 | 0.77 | HSD17B10 (0.50) | KDM4EALDH1A1MAPTHSD17B10BRD4 | |
| SCHEMBL29546125 | 0.77 | HSD17B10 (0.50) | KDM4EALDH1A1MAPTHSD17B10BRD4 | |
| SCHEMBL2781851 | 0.76 | USP7 (0.39) | DHFRHEXAHEXBKDM4EUSP7 | |
| SCHEMBL27449057 | 0.75 | DHFR (0.44) | DHFRHEXAHEXBKDM4EUSP7 | |
| SCHEMBL27860186 | 0.75 | ESR1 (0.47) | DHFRHEXAHEXBKDM4EUSP7 | |
| SCHEMBL3386915 | 0.75 | IMPDH2 (0.41) | DHFRHEXAHEXBALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-112662199-B | Black dye compound and preparation method and dyeing application thereof | 上海雅运新材料有限公司 | 2022-12-27 | — | — | CN | disclosed |
| CN-112662199-A | Black dye compound and preparation method and dyeing application thereof | 上海雅运新材料有限公司 | 2021-04-16 | — | — | CN | disclosed |