Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 4/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29196799 | 0.84 | PKM (0.50) | CA1CA2COMTPKMTPMT | |
| SCHEMBL29196797 | 0.82 | MYC (0.42) | CA1CA2COMTPKMXDH | |
| SCHEMBL30454482 | 0.80 | CA1 (0.41) | CA1CA2PKML3MBTL1ALDH1A1 | |
| SCHEMBL9617118 | 0.76 | CA1 (0.51) | CA1CA2PKMTPMTCDK2 | |
| SCHEMBL19193965 | 0.74 | COMT (0.41) | CA1CA2COMTPKMTPMT | |
| SCHEMBL29196806 | 0.73 | CTSV (0.46) | COMTCYP19A1 | |
| SCHEMBL19199670 | 0.71 | PRKCE (0.47) | CA1CA2PKMTPMTCDK2 | |
| SCHEMBL19193391 | 0.69 | CA1 (0.37) | CA1CA2COMTPKMTPMT | |
| SCHEMBL1459278 | 0.69 | GAA (0.45) | CA1CA2PDK1XDHKDM4E | |
| SCHEMBL20589188 | 0.69 | IRAK4 (0.49) | PDK1PKMCDK2KDM4ETDP1 |
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-116283588-A | 4-alkoxy substituted 2, 6-dihydroxybenzoic acid right-embedded alcohol or fenchyl alcohol ester compound and pharmaceutical application thereof | 南京医科大学 | 2023-06-23 | — | — | CN | disclosed |