Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.44 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27528912 | 0.93 | NPC1 (0.65) | NPC1ENPP2CHRNB4CHRNA3CHRNA7 | |
| Tert-Butyl Formate SCHEMBL27528605 | 0.92 | NPC1 (0.67) | NPC1ENPP2CHRNB4CHRNA3CHRNA7 | |
| Ethoxycarbonyl Group SCHEMBL28014965 | 0.81 | CYP17A1 (0.58) | NPC1CHRNB4CHRNA3CHRNA7CHRNA10 | |
| Ethoxycarbonyl Group SCHEMBL28015039 | 0.79 | MMP2 (0.51) | NPC1CHRNB4CHRNA3CHRNA7CYP17A1 | |
| Tert-Butyl Formate SCHEMBL27623617 | 0.77 | IMPDH2 (0.52) | NPC1ENPP2CHRNB4CHRNA3CHRNA7 | |
| Ethoxycarbonyl Group SCHEMBL28291613 | 0.76 | CYP2A6 (0.43) | CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9 | |
| Indole SCHEMBL27375410 | 0.75 | TRPA1 (0.57) | NPC1CA1CA2 | |
| SCHEMBL30587350 | 0.75 | NPC1 (1.00) | NPC1ENPP2PTGS2GLO1CA12 | |
| SCHEMBL446619 | 0.75 | NPC1 (1.00) | NPC1ENPP2PTGS2GLO1CA12 | |
| Ethoxycarbonyl Group SCHEMBL27439208 | 0.74 | CYP2A6 (0.46) | CA12CA9CCNCCDK8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1241909-C | Carboxylic acid derivatives as IP antagonists | HOFFMANN LA ROCHE (CH) | 2006-02-15 | — | — | CN | disclosed |
| CN-1418187-A | Carboxylic acid derivatives as IP antagonists | HOFFMANN LA ROCHE (CH) | 2003-05-14 | — | — | CN | disclosed |