Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1254599 | 0.89 | CYP2D6 (0.49) | NPC1RAB9ASMN1; SMN2LMNAGAA | |
| SCHEMBL534241 | 0.84 | CYP2D6 (0.55) | NPC1RAB9ASMN1; SMN2LMNAGAA | |
| SCHEMBL11241585 | 0.84 | CYP2D6 (0.55) | NPC1RAB9ASMN1; SMN2LMNAGAA | |
| SCHEMBL11082604 | 0.83 | CYP2D6 (0.54) | NPC1RAB9ASMN1; SMN2LMNAGAA | |
| SCHEMBL10412651 | 0.83 | CYP2D6 (0.54) | NPC1RAB9ASMN1; SMN2LMNAGAA | |
| Toluene SCHEMBL28232236 | 0.77 | TDP1 (0.56) | NPC1RAB9AGAAKMT2ATSHR | |
| SCHEMBL5468751 | 0.77 | ALDH1A1 (0.49) | KDM4ECYP1A2KMT2AHTTCYP11B1 | |
| SCHEMBL467497 | 0.76 | ALDH1A1 (0.47) | SMN1; SMN2LMNAKDM4ECYP1A2PTGS2 | |
| SCHEMBL9734174 | 0.76 | TP53 (0.43) | SMN1; SMN2GAAKDM4ECYP1A2HTT | |
| SCHEMBL3969772 | 0.75 | L3MBTL1 (0.44) | NPC1LMNAKDM4ECYP2D6CYP1A2 |
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-109809990-A | A method of 2- oxocyclopentyl ethyl acetate is prepared by esterification | 雷萌 | 2019-05-28 | — | — | CN | claimed |
| CN-109809990-A | A method of 2- oxocyclopentyl ethyl acetate is prepared by esterification | 雷萌 | 2019-05-28 | — | — | CN | disclosed |
| CN-109809990-A | A method of 2- oxocyclopentyl ethyl acetate is prepared by esterification | 雷萌 | 2019-05-28 | — | — | CN | disclosed |