Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A9 | P06702 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19820791 | 0.77 | S100A9 (0.39) | S100A9HTTEGFRPOLBHCAR2 | |
| SCHEMBL768367 | 0.77 | ALDH1A1 (0.50) | S100A9ALDH1A1HTTLMNAEGFR | |
| SCHEMBL15053091 | 0.75 | ALDH1A1 (0.38) | S100A9ALDH1A1HTTLMNAEGFR | |
| SCHEMBL853773 | 0.74 | PTGS2 (0.48) | S100A9HTTEGFRPOLBHCAR2 | |
| SCHEMBL31375066 | 0.73 | S100A9 (0.44) | S100A9HTTEGFRPOLBHCAR2 | |
| Dimethylformamide SCHEMBL27872786 | 0.71 | S100A9 (0.42) | S100A9ALDH1A1HTTLMNAEGFR | |
| SCHEMBL26614777 | 0.71 | POLB (0.42) | S100A9HTTEGFRPOLBHCAR2 | |
| SCHEMBL31375063 | 0.71 | POLB (0.42) | S100A9HTTEGFRPOLBHCAR2 | |
| SCHEMBL750424 | 0.70 | ALDH1A1 (0.53) | ALDH1A1HTTLMNAMAPK1SMN1; SMN2 | |
| SCHEMBL352138 | 0.70 | S100A9 (0.45) | S100A9ALDH1A1HTTEGFRPOLB |
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-104193725-B | Organic compound | 诺华股份有限公司 | 2016-11-16 | — | — | CN | disclosed |