Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.77 |
| ▸ | GAA | P10253 | 1/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.77 |
| ▸ | PKM | P14618 | 1/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 2/20 | 0.55 |
| ▸ | PPARA | Q07869 | 2/20 | 0.55 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10494606 | 1.00 | CYP1A2 (0.77) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL637870 | 0.94 | CYP1A2 (0.67) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL502837 | 0.94 | CYP1A2 (0.67) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL3848321 | 0.94 | CYP1A2 (0.67) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL5597362 | 0.92 | CYP1A2 (0.65) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL3128499 | 0.92 | CYP1A2 (0.65) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL3128493 | 0.92 | CYP1A2 (0.65) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL1984871 | 0.92 | CYP1A2 (0.65) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL28971376 | 0.92 | CYP1A2 (0.65) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL10706539 | 0.92 | CYP1A2 (0.65) | CYP1A2GAACYP2C9PKMCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| JP-1042455-A | — | — | None | — | — | JP | disclosed |
| JP-S6442455-A | 2-ALKOXYPROPIONIC ACID DERIVATE | DAINIPPON INK & CHEMICALS | 1989-02-14 | — | — | JP | disclosed |