Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | TYR | P14679 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5386366 | 1.00 | GAA (0.59) | GAATSHRCYP3A4BLMNFKB1 | |
| SCHEMBL3863574 | 0.88 | GAA (0.48) | GAANPSR1CYP19A1ALDH1A1MAPT | |
| SCHEMBL9009280 | 0.84 | GAA (0.58) | GAATSHRCYP3A4BLMNFKB1 | |
| SCHEMBL2204602 | 0.84 | MAPT (0.60) | GAANPSR1MGAMBCHETYR | |
| SCHEMBL2201624 | 0.82 | TRPA1 (0.47) | GAATSHRCYP3A4BLMNFKB1 | |
| SCHEMBL2203936 | 0.81 | GAA (0.54) | GAATSHRCYP3A4BLMNFKB1 | |
| SCHEMBL30375493 | 0.81 | GAA (0.54) | GAATSHRCYP3A4BLMNFKB1 | |
| SCHEMBL20563424 | 0.80 | TSHR (0.65) | GAATSHRCYP3A4BLMNFKB1 | |
| SCHEMBL2865089 | 0.79 | TSHR (0.56) | GAATSHRCYP3A4BLMNFKB1 | |
| SCHEMBL30826323 | 0.79 | TSHR (0.56) | GAATSHRCYP3A4BLMNFKB1 |
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-113785023-B | Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same | 株式会社百乐 | 2023-05-12 | — | — | CN | disclosed |