Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | CRHBP | P24387 | 1/20 | 0.61 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28870448 | 0.88 | MAPT (0.61) | MAPTCRHBPCRHR2PKMGAA | |
| SCHEMBL20563424 | 0.81 | TSHR (0.65) | TSHRCYP3A4GAABLMNFKB1 | |
| SCHEMBL20766745 | 0.80 | NFKB1 (0.55) | TSHRCYP3A4GAABLMNFKB1 | |
| SCHEMBL1596291 | 0.79 | TSHR (0.62) | TSHRCYP3A4GAABLMNFKB1 | |
| SCHEMBL2865089 | 0.77 | TSHR (0.56) | TSHRCYP3A4GAABLMNFKB1 | |
| SCHEMBL30826323 | 0.77 | TSHR (0.56) | TSHRCYP3A4GAABLMNFKB1 | |
| SCHEMBL31516847 | 0.76 | TSHR (0.59) | TSHRCYP3A4GAABLMNFKB1 | |
| SCHEMBL757257 | 0.75 | MAOB (0.62) | TSHRCYP3A4GAABLMNFKB1 | |
| SCHEMBL29375595 | 0.75 | MAOB (0.62) | TSHRCYP3A4GAABLMNFKB1 | |
| SCHEMBL3413913 | 0.75 | MAOB (0.62) | TSHRCYP3A4GAABLMNFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115093879-A | Method for synthesizing high-density aviation fuel by taking vanillin as raw material | 陕西理工大学 | 2022-09-23 | — | — | CN | claimed |
| CN-115093879-A | Method for synthesizing high-density aviation fuel by taking vanillin as raw material | 陕西理工大学 | 2022-09-23 | — | — | CN | disclosed |
| CN-115093879-A | Method for synthesizing high-density aviation fuel by taking vanillin as raw material | 陕西理工大学 | 2022-09-23 | — | — | CN | disclosed |