Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 8/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29676228 | 0.86 | MAPK1 (0.42) | MAPK1NPC1LMNATP53RAB9A | |
| SCHEMBL17470867 | 0.78 | ALDH1A1 (0.42) | MAPK1NPC1LMNATP53RAB9A | |
| SCHEMBL20738607 | 0.77 | MAPK1 (0.44) | MAPK1NPC1LMNATP53RAB9A | |
| SCHEMBL18793895 | 0.77 | MAPK1 (0.45) | MAPK1NPC1LMNATP53RAB9A | |
| SCHEMBL18794259 | 0.76 | HRH4 (0.43) | MAPK1NPC1LMNATP53RAB9A | |
| SCHEMBL29675772 | 0.75 | MAPK1 (0.59) | MAPK1LMNA | |
| SCHEMBL29338319 | 0.75 | MAPK1 (0.46) | MAPK1NPC1LMNATP53RAB9A | |
| SCHEMBL29675508 | 0.75 | MAPK1 (0.41) | MAPK1LMNAACACBGFER | |
| SCHEMBL23343854 | 0.74 | MAPK1 (0.40) | MAPK1NPC1LMNATP53RAB9A | |
| SCHEMBL8259537 | 0.73 | SMN1; SMN2 (0.53) | NPC1LMNATP53RAB9ASMN1; SMN2 |
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-108617166-B | Protein kinase inhibitor benzolactam compounds | 大冢制药株式会社 | 2022-05-17 | — | — | CN | claimed |