Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10734667 | 0.77 | — | — | |
| SCHEMBL28109731 | 0.69 | — | — | |
| SCHEMBL25696366 | 0.67 | CES2 (0.32) | CTSDCES2CES1HDAC3HDAC1 | |
| SCHEMBL3992858 | 0.66 | — | — | |
| SCHEMBL924945 | 0.66 | — | — | |
| Hydrazinecarboxamide SCHEMBL5076163 | 0.65 | TSHR (0.67) | CTSDNOS1CES2CES1HDAC3 | |
| SCHEMBL626129 | 0.65 | CES2 (0.50) | CTSDCES2CES1HDAC3HDAC1 | |
| Water SCHEMBL28843605 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL6177966 | 0.64 | — | — | |
| SCHEMBL19409889 | 0.64 | CES1 (0.46) | CES2CES1TSHRCYP1A2ALDH1A1 |
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-114937771-A | Cathode material, preparation method thereof and lithium ion battery | 贝特瑞（江苏）新材料科技有限公司 | 2022-08-23 | — | — | CN | disclosed |