Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24587300 | 0.86 | — | — | |
| SCHEMBL13538931 | 0.82 | EPHX1 (0.56) | EPHX1HDAC8HDAC6OPRM1CA1 | |
| SCHEMBL15024253 | 0.80 | EPHX1 (0.59) | EPHX1HDAC8HDAC6OPRM1CA1 | |
| SCHEMBL14087092 | 0.77 | EPHX1 (0.50) | EPHX1OPRM1CA1CA2CA4 | |
| SCHEMBL14086000 | 0.77 | EPHX1 (0.50) | EPHX1OPRM1CA1CA2CA4 | |
| SCHEMBL17860102 | 0.77 | EPHX1 (0.50) | EPHX1OPRM1CA1CA2CA4 | |
| SCHEMBL13753925 | 0.77 | EPHX1 (0.55) | EPHX1OPRM1CNR2ITGB2ICAM1 | |
| SCHEMBL27657024 | 0.75 | EPHX1 (0.65) | EPHX1OPRM1CA1CA2CA4 | |
| SCHEMBL19489554 | 0.75 | EPHX1 (0.53) | EPHX1KDM4E | |
| SCHEMBL24488100 | 0.75 | EPHX1 (0.48) | EPHX1OPRM1CA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116375698-B | Urushiol-based hydroxamic acid HDAC inhibitor with targeted antitumor activity and preparation method and application thereof | 中国林业科学研究院林产化学工业研究所 | 2023-08-01 | — | — | CN | disclosed |
| CN-116375698-A | Novel urushiol-based hydroxamic acid type HDAC inhibitor with targeted antitumor activity and preparation method and application thereof | 中国林业科学研究院林产化学工业研究所 | 2023-07-04 | — | — | CN | disclosed |