Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GALK1 | P51570 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033640 | 0.87 | CASR (0.46) | CASRNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL30778254 | 0.87 | MAPT (0.44) | NPC1RAB9ASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL29033625 | 0.85 | CASR (0.43) | CASRNPC1KMT2AMEN1MAPT | |
| SCHEMBL29033658 | 0.82 | CASR (0.46) | CASRKMT2AMEN1MAPTALDH1A1 | |
| SCHEMBL29226445 | 0.77 | CASR (0.71) | CASRNPC1RAB9ASMN1; SMN2PKM | |
| SCHEMBL30927954 | 0.77 | CASR (0.71) | CASRNPC1RAB9ASMN1; SMN2PKM | |
| SCHEMBL29226448 | 0.77 | CASR (0.71) | CASRNPC1RAB9ASMN1; SMN2PKM | |
| SCHEMBL16871130 | 0.74 | CASR (0.46) | CASRKMT2AMEN1TSHRMAPT | |
| SCHEMBL16743003 | 0.69 | ALDH1A1 (0.53) | SMN1; SMN2PKMTSHRMAPK1ALDH1A1 | |
| SCHEMBL30918774 | 0.69 | CASR (0.41) | CASRKMT2AMEN1SCDMAPT |
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-116444458-A | Method for realizing migration of remote aromatic heterocycle and direct alkyl heteroaryl of terminal olefin | 南京工业大学 | 2023-07-18 | — | — | CN | disclosed |