Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP12 | P39900 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 4/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21716066 | 0.88 | ALDH1A1 (0.40) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL24452838 | 0.86 | ALDH1A1 (0.49) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL24452770 | 0.79 | ALDH1A1 (0.52) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL24453022 | 0.76 | ALDH1A1 (0.49) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL21716063 | 0.76 | CNR1 (0.42) | MGLL | |
| SCHEMBL24452542 | 0.75 | ALDH1A1 (0.52) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL24453054 | 0.75 | ALDH1A1 (0.54) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL24452958 | 0.75 | ALDH1A1 (0.45) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL2733663 | 0.75 | TDP1 (0.59) | ALDH1A1PKMLMNAGAATP53 | |
| SCHEMBL9628757 | 0.75 | TDP1 (0.59) | ALDH1A1PKMLMNAGAATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4006921-A2 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE | Shin-Etsu Chemical Co., Ltd. (JP) | 2022-06-01 | — | — | EP | disclosed |