Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.62 |
| ▸ | XDH | P47989 | 4/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL668523 | 1.00 | GPR35 (0.62) | GPR35XDHCA12CA1CA2 | |
| SCHEMBL3240956 | 0.87 | XDH (0.52) | GPR35XDHCA12CA1CA2 | |
| SCHEMBL30988744 | 0.87 | XDH (0.48) | GPR35XDHCYP1A2KDM4EALDH1A1 | |
| SCHEMBL29217462 | 0.87 | XDH (0.48) | GPR35XDHCYP1A2KDM4EALDH1A1 | |
| SCHEMBL5023582 | 0.87 | XDH (0.48) | GPR35XDHCA12CA1CA2 | |
| SCHEMBL29217465 | 0.87 | XDH (0.48) | GPR35XDHCYP1A2KDM4EALDH1A1 | |
| SCHEMBL4809183 | 0.87 | XDH (0.48) | GPR35XDHCA12CA1CA2 | |
| SCHEMBL2735980 | 0.85 | XDH (0.50) | GPR35XDHCA12CA1CA2 | |
| SCHEMBL25721356 | 0.85 | XDH (0.47) | GPR35XDHCA12CA1CA2 | |
| SCHEMBL19506403 | 0.84 | XDH (0.46) | GPR35XDHCA12CA1CA2 |
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-114828817-A | Method for dyeing hair | 花王株式会社 | 2022-07-29 | — | — | CN | disclosed |