Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.36 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.36 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.36 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.36 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.36 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.36 |
| ▸ | FXYD2 | P54710 | 1/20 | 0.36 |
| ▸ | ATP1A4 | Q13733 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 3/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19642363 | 1.00 | CYP1A1 (0.36) | CYP1A1CYP1A2PRKDCCYP1B1ATP1A1 | |
| SCHEMBL19642396 | 0.84 | ATP1A1 (0.41) | CYP1A1CYP1A2PRKDCCYP1B1ATP1A1 | |
| SCHEMBL2516020 | 0.78 | KDM4E (0.57) | CYP1A2CYP1B1ATP1A1ATP1B1ATP1A3 | |
| SCHEMBL8815403 | 0.78 | ATP1A1 (0.47) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL19642440 | 0.77 | MAOB (0.46) | PRKDCKDM4EELANE | |
| SCHEMBL29547657 | 0.77 | MAOB (0.46) | PRKDCKDM4EELANE | |
| SCHEMBL22171892 | 0.74 | KDM4E (0.60) | TTRMAOAKDM4EALDH1A1MEN1 | |
| SCHEMBL19642411 | 0.74 | CA12 (0.32) | ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2 | |
| SCHEMBL5782106 | 0.70 | MAOA (0.64) | MAOAKDM4EALDH1A1CYP3A4 | |
| SCHEMBL29547534 | 0.70 | MAOA (0.64) | MAOAKDM4EALDH1A1CYP3A4 |
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-109311860-B | Xanthone derivatives for the treatment or prevention of hepatitis B virus diseases | 豪夫迈·罗氏有限公司 | 2022-04-08 | — | — | CN | disclosed |