Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3153767 | 0.79 | MAPT (0.40) | ALDH1A1MAPTMAPK1HTTLMNA | |
| SCHEMBL29507810 | 0.78 | CHKA (0.48) | ALDH1A1MAPTLMNATDP1TSHR | |
| SCHEMBL12474038 | 0.77 | CYP2D6 (0.34) | HTTLMNA | |
| SCHEMBL28380433 | 0.75 | LMNA (0.31) | MAPTLMNATDP1NPSR1 | |
| SCHEMBL8375652 | 0.73 | MBTD1 (0.40) | ALDH1A1MAPTMAPK1HTTLMNA | |
| SCHEMBL14045978 | 0.72 | KMT2A (0.51) | ALDH1A1MAPTMAPK1HTTNPC1 | |
| SCHEMBL7416328 | 0.69 | SLC6A2 (0.41) | — | |
| SCHEMBL20414976 | 0.69 | ALDH1A1 (0.41) | ALDH1A1MAPTMAPK1HTTLMNA | |
| SCHEMBL2733140 | 0.67 | MGLL (0.44) | ALDH1A1MAPTMAPK1HTTLMNA | |
| SCHEMBL296284 | 0.67 | MAPT (0.46) | ALDH1A1MAPTMAPK1HTTLMNA |
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-108084178-A | Hydroxamic acid compound of the one kind containing tetrahydrochysene-β-Ka Lin structures, purposes and preparation method thereof | 济南大学 | 2018-05-29 | — | — | CN | claimed |
| CN-108084178-A | Hydroxamic acid compound of the one kind containing tetrahydrochysene-β-Ka Lin structures, purposes and preparation method thereof | 济南大学 | 2018-05-29 | — | — | CN | disclosed |