Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.41 |
| ▸ | CES1 | P23141 | 5/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28913097 | 0.84 | NPC1 (0.51) | HDAC6HSD17B1HSD17B2NPC1RAB9A | |
| Benzene SCHEMBL28343003 | 0.77 | BCAT2 (0.55) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| Biphenyl SCHEMBL28340553 | 0.77 | BCAT2 (0.55) | CES2CES1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27676197 | 0.77 | BCAT2 (0.59) | CES2CES1SMN1; SMN2BCAT2 | |
| SCHEMBL30277841 | 0.77 | BCAT2 (0.59) | CES2CES1SMN1; SMN2BCAT2 | |
| SCHEMBL27905635 | 0.75 | CES2 (0.47) | CES2CES1 | |
| SCHEMBL29972427 | 0.75 | CES2 (0.67) | CES2CES1RAB9A | |
| SCHEMBL14944580 | 0.74 | HDAC6 (0.58) | CES2CES1HDAC6MMP12KMO | |
| SCHEMBL27556906 | 0.73 | HSD17B1 (0.44) | HDAC6HSD17B1HSD17B2PRKDCPTGER1 | |
| Hydrogen Sulfide SCHEMBL27747421 | 0.72 | HSD17B1 (0.43) | HDAC6HSD17B1HSD17B2PRKDCPTGER1 |
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-109843853-B | Composition and method for manufacturing device using the same | 东洋合成工业株式会社 | 2022-09-20 | — | — | CN | disclosed |