Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 9/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478352 | 0.79 | EPHX1 (0.57) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL27763714 | 0.79 | EPHX1 (0.52) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL20647726 | 0.78 | EPHX1 (0.65) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3077411 | 0.78 | EPHX1 (0.55) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3070965 | 0.78 | ALDH1A1 (0.56) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6534211 | 0.77 | EPHX1 (0.46) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL29840854 | 0.76 | EPHX1 (0.53) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3076390 | 0.76 | EPHX1 (0.53) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL17169490 | 0.76 | EPHX1 (0.63) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL19426065 | 0.76 | EPHX1 (0.63) | EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1 |
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-108503650-B | Dioxane and quinazoline compound or medicinal salt or hydrate thereof and application of dioxane and quinazoline compound or medicinal salt or hydrate thereof as tyrosine kinase inhibitor | 北京赛特明强医药科技有限公司 | 2021-02-12 | — | — | CN | disclosed |