Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27082404 | 1.00 | KDM4E (0.35) | KDM4EL3MBTL1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL24409256 | 0.79 | RAB9A (0.32) | RAB9AKMT2A | |
| SCHEMBL29972666 | 0.79 | NPC1 (0.36) | KDM4ENPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL24409130 | 0.79 | NPC1 (0.36) | KDM4ENPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL27082391 | 0.77 | MEN1 (0.32) | KMT2A | |
| SCHEMBL29972876 | 0.77 | MEN1 (0.32) | KMT2A | |
| SCHEMBL27082322 | 0.76 | CYP11B1 (0.31) | — | |
| SCHEMBL29972943 | 0.76 | CYP11B1 (0.31) | — | |
| SCHEMBL24955122 | 0.72 | MAPK1 (0.53) | KDM4EL3MBTL1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL20176923 | 0.70 | EGLN1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022199503-A1 | USE OF HETEROCYCLIC COMPOUND IN TREATING DISEASES RELATED TO KINASE DRUG-RESISTANT MUTATION AND METHOD THEREFOR | 四川科伦博泰生物医药股份有限公司 | 2022-09-29 | — | — | WO | disclosed |