Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL27467514 | 0.88 | PARP1 (0.60) | PARP1CHRM2CHRM4CHRM1CHRM3 | |
| Chloromethane SCHEMBL4962643 | 0.88 | PARP1 (0.60) | PARP1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL1259 | 0.88 | PARP1 (0.64) | PARP1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL4370629 | 0.88 | PARP1 (0.64) | PARP1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL29351761 | 0.88 | PARP1 (0.64) | PARP1CHRM2CHRM4CHRM1CHRM3 | |
| Methoxymethane SCHEMBL4682116 | 0.86 | PARP1 (0.58) | PARP1CHRM2CHRM4CHRM1CHRM3 | |
| Methylene Chloride SCHEMBL2220580 | 0.86 | PARP1 (0.58) | PARP1CHRM2CHRM4CHRM1CHRM3 | |
| Ethyl Acetate SCHEMBL5560816 | 0.86 | ELANE (0.48) | PARP1LMNAELANECHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL8503466 | 0.86 | PARP1 (0.62) | PARP1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL5484641 | 0.86 | PARP1 (0.62) | PARP1CHRM2CHRM4CHRM1CHRM3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102633858-A | Preparation method for rocuronium bromide key intermediate 2alpha, 3alpha-epoxy-16beta-(1-pyrrolidyl)-5alpha- androstane-17 hydroxy | LIANYUNGANG GUIKE PHARMACEUTICAL CO LTD | 2012-08-15 | — | — | CN | disclosed |
| CN-1056826-C | Soybean-5,8-diene-4-ketone preparation method and application | TOBACCO INDUSTRY INST YUNNAN P (CN) | 2000-09-27 | — | — | CN | disclosed |
| CN-1139665-A | Soybean-5,8-diene-4-ketone preparation method and application | YUNNAN PROVINCIAL TOBACCO INDU (CN) | 1997-01-08 | — | — | CN | disclosed |