Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.46 |
| ▸ | ITGAL | P20701 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CRHBP | P24387 | 2/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | GRK5 | P34947 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL279547 | 1.00 | ABCG2 (0.46) | ABCG2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL1615985 | 0.80 | MAOB (0.52) | ABCG2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL15026854 | 0.79 | DHODH (0.40) | SMN1; SMN2NPC1RAB9AMAOBMAOA | |
| SCHEMBL7754901 | 0.78 | SMN1; SMN2 (0.61) | ABCG2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL15763902 | 0.77 | MAOA (0.46) | ABCG2ITGB2ICAM1ITGALMAOB | |
| SCHEMBL868520 | 0.77 | ABCG2 (0.52) | ABCG2ITGB2ICAM1ITGALLMNA | |
| SCHEMBL14447058 | 0.77 | PKM (0.42) | SMN1; SMN2MAOBMAOATSHRPKM | |
| SCHEMBL7256530 | 0.76 | MAOA (0.46) | LMNASMN1; SMN2NPC1RAB9AMAOB | |
| SCHEMBL31540329 | 0.76 | MAOA (0.46) | LMNASMN1; SMN2NPC1RAB9AMAOB | |
| SCHEMBL5045846 | 0.74 | MAOA (0.50) | ABCG2ITGB2ICAM1ITGALLMNA |
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-108602809-B | Isoxazolidine derived inhibitors of receptor interacting protein kinase 1(RIPK 1) | 戴纳立制药公司 | 2022-09-30 | — | — | CN | disclosed |