Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12469140 | 0.90 | POLB (0.39) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL30673977 | 0.83 | EPHX1 (0.54) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL13667376 | 0.82 | EPHX1 (0.48) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL12469141 | 0.78 | EPHX2 (0.42) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL24307260 | 0.76 | HPGD (0.44) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL29577155 | 0.76 | EPHX1 (0.63) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL29576935 | 0.76 | EPHX1 (0.63) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL14748226 | 0.75 | EPHX1 (0.54) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL20748435 | 0.73 | EPHX1 (0.52) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL20748429 | 0.73 | EPHX1 (0.52) | EPHX1NPC1SMN1; SMN2RAB9AALDH1A1 |
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 |