Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | LSS | P48449 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL7209042 | 1.00 | CCR5 (0.43) | CCR5L3MBTL1TSHRALDH1A1CYP3A4 | |
| SCHEMBL4805969 | 0.95 | BCHE (0.41) | CCR5L3MBTL1BCHELSS | |
| SCHEMBL4805973 | 0.95 | BCHE (0.41) | CCR5L3MBTL1BCHELSS | |
| SCHEMBL7207602 | 0.91 | CCR5 (0.46) | CCR5L3MBTL1TSHRALDH1A1CYP3A4 | |
| SCHEMBL7207605 | 0.91 | CCR5 (0.46) | CCR5L3MBTL1TSHRALDH1A1CYP3A4 | |
| SCHEMBL4804390 | 0.90 | CCR5 (0.47) | CCR5L3MBTL1BCHE | |
| SCHEMBL4804384 | 0.90 | CCR5 (0.47) | CCR5L3MBTL1BCHE | |
| SCHEMBL7211618 | 0.89 | CCR5 (0.43) | CCR5L3MBTL1TSHRALDH1A1CYP3A4 | |
| SCHEMBL7211615 | 0.89 | CCR5 (0.43) | CCR5L3MBTL1TSHRALDH1A1CYP3A4 | |
| SCHEMBL7206162 | 0.88 | CCR5 (0.43) | CCR5L3MBTL1TSHRALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1311475-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |