Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26463825 | 0.81 | RAPGEF4 (0.47) | RAPGEF4PTGS2CYP1A2CYP3A4MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL30131108 | 0.81 | FFAR4 (0.47) | FFAR4MAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL30131110 | 0.80 | CA1 (0.35) | RAPGEF4PDK2CYP1A2CYP3A4CYP2C19 | |
| Trifluoromethanesulfonic Acid SCHEMBL3347804 | 0.79 | CA2 (0.42) | RAPGEF4PTGS2MEN1KMT2ACA1 | |
| Trifluoromethanesulfonic Acid SCHEMBL29195610 | 0.78 | CA1 (0.38) | RAPGEF4CYP1A2CYP3A4CYP2C19MEN1 | |
| Trifluoromethanesulfonic Acid SCHEMBL30131109 | 0.77 | HTT (0.42) | PTPN1CYP1A2CYP2C19MMP1MMP9 | |
| Trifluoromethanesulfonic Acid SCHEMBL28750655 | 0.77 | CA1 (0.43) | PTPN1CA1CA2MMP1MMP2 | |
| Trifluoromethanesulfonic Acid SCHEMBL29498397 | 0.74 | RXRB (0.37) | RAPGEF4PTPN1CYP1A2CYP3A4CYP2C19 | |
| Trifluoromethanesulfonic Acid SCHEMBL8734882 | 0.73 | KCNH2 (0.38) | PTGS2PTPN1MEN1KMT2AFFAR4 | |
| Trifluoromethanesulfonic Acid SCHEMBL29181639 | 0.73 | PGK1 (0.40) | RAPGEF4PTGS2PTPN1CYP1A2CYP3A4 |
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-111410603-B | Benzanthrone derivative, preparation method thereof and application thereof in functional pigment | 上海甘田光学材料有限公司 | 2022-12-16 | — | — | CN | disclosed |