Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | CTSH | P09668 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5533200 | 0.91 | ALDH1A1 (0.41) | CTSLCTSBCTSKNAAACTSH | |
| SCHEMBL10434986 | 0.88 | CTSK (0.36) | CTSLCTSBCTSKCTSHSMN1; SMN2 | |
| SCHEMBL21226095 | 0.88 | GNAI3 (0.39) | SLC6A3SMN1; SMN2 | |
| SCHEMBL15129692 | 0.87 | FAAH (0.49) | FAAHMAPTCTSKCNR1CNR2 | |
| SCHEMBL10845379 | 0.86 | TLR4 (0.36) | MAPTCTSLCTSBCTSKCTSH | |
| SCHEMBL10845385 | 0.86 | TLR4 (0.36) | MAPTCTSLCTSBCTSKCTSH | |
| SCHEMBL5364583 | 0.85 | EPHX2 (0.39) | FAAHCTSLCTSBCTSKCTSH | |
| SCHEMBL5362719 | 0.85 | FAAH (0.51) | FAAHMAPTCTSKCNR1CNR2 | |
| SCHEMBL11824985 | 0.85 | FAAH (0.51) | FAAHMAPTCTSKCNR1CNR2 | |
| SCHEMBL10321962 | 0.83 | ACACB (0.36) | MAPTCTSLCTSBCTSKCTSH |
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 |
|---|---|---|---|---|---|---|---|
| US-7208545-B1 | Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2007-04-24 | — | — | US | claimed |
| EP-1194396-B1 | SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS | BASF AG (DE) | 2005-11-09 | — | — | EP | claimed |
| US-7208545-B1 | Selected cyclohexane -1,3-and -1,4-dicarboxylic acid esters | BASF AKTIENGESELLSCHAFT (DE) | 2007-04-24 | — | — | US | disclosed |