Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 9/20 | 0.69 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.67 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.61 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | ACP1 | P24666 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29506738 | 1.00 | LCK (0.69) | LCKDYRK1AMAP3K5NPC1RAB9A | |
| SCHEMBL2666847 | 0.87 | DYRK1A (0.67) | LCKDYRK1ARAB9A | |
| SCHEMBL14614351 | 0.87 | DYRK1A (0.60) | LCKDYRK1AMAP3K5NPC1RAB9A | |
| SCHEMBL14113317 | 0.86 | DYRK1A (0.74) | DYRK1AMAP3K5NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29809436 | 0.86 | RAB9A (0.76) | LCKDYRK1ANPC1RAB9A | |
| SCHEMBL30263005 | 0.86 | LCK (0.61) | LCKNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL3943412 | 0.86 | LCK (0.61) | LCKNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL10118217 | 0.86 | RAB9A (0.76) | LCKDYRK1ANPC1RAB9A | |
| SCHEMBL3122011 | 0.85 | LCK (0.60) | LCKDYRK1ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28706165 | 0.85 | LCK (0.60) | LCKDYRK1ANPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114230522-A | Imidazole-2-carboxylic acid metal beta-lactamase inhibitor and preparation method and application thereof | 四川大学 | 2022-03-25 | — | — | CN | disclosed |
| US-9138427-B2 | Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents | NIVALIS THERAPEUTICS, INC. (US) | 2015-09-22 | — | — | US | disclosed |