Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | CHAT | P28329 | 1/20 | 0.42 |
| ▸ | PYGL | P06737 | 6/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | KDM4B | O94953 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27587401 | 0.76 | HSD17B10 (0.48) | ALDH1A1PTGS2MAOB | |
| SCHEMBL15332938 | 0.74 | TLR9 (0.48) | ALDH1A1PTGS2KMT2ANPC1RAB9A | |
| SCHEMBL28038590 | 0.73 | CHRM5 (0.48) | CHATMAOAMAOB | |
| SCHEMBL28038244 | 0.71 | ALDH1A1 (0.52) | ALDH1A1PTGS2KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL28038209 | 0.71 | PTGS2 (0.47) | ALDH1A1PTGS2KMT2ANPC1RAB9A | |
| SCHEMBL29364412 | 0.70 | ALDH1A1 (1.00) | ALDH1A1PTGS2CHATPYGLIGF1R | |
| SCHEMBL48577 | 0.70 | ALDH1A1 (1.00) | ALDH1A1PTGS2CHATPYGLIGF1R | |
| SCHEMBL1385666 | 0.70 | ALDH1A1 (0.58) | ALDH1A1PTGS2CHATPYGLIGF1R | |
| SCHEMBL3776583 | 0.69 | ALDH1A1 (0.57) | ALDH1A1PTGS2CHATPYGLKDM4A | |
| SCHEMBL28038207 | 0.69 | TDP1 (0.41) | ALDH1A1NPSR1 |
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-101180266-B | As the alpha ketoamide compounds of cystatin | Vero Bay (US) | 2015-11-25 | — | — | CN | disclosed |