Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDO2 | P48775 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5050877 | 0.95 | CYP2A6 (0.52) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL29464821 | 0.88 | CYP2A6 (0.62) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL1520883 | 0.88 | CYP2A6 (0.62) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL25681057 | 0.86 | NPC1 (0.48) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL21933948 | 0.85 | ALDH1A1 (0.50) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL27741539 | 0.85 | ESR2 (0.44) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL3835519 | 0.84 | PTPRC (0.47) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL5543112 | 0.84 | TDO2 (0.43) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL321445 | 0.84 | CNR1 (0.53) | NPC1RAB9ATSHRTDO2ALOX5 | |
| SCHEMBL10827299 | 0.84 | MAOB (0.46) | NPC1RAB9ATSHRTDO2ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5053566-A | Catalysis reaction with bromine or chlorine halogenating agent, in the presence of methylene chloride and metal cation containing Type-L zeolite | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-01 | — | — | US | disclosed |