Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.49 |
| ▸ | BCHE | P06276 | 9/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7205236 | 1.00 | CCR5 (0.49) | CCR5BCHETMEM97KDM4EALDH1A1 | |
| SCHEMBL4800476 | 0.92 | BCHE (0.51) | CCR5BCHEKDM4EALDH1A1NPC1 | |
| SCHEMBL4800467 | 0.92 | BCHE (0.51) | CCR5BCHEKDM4EALDH1A1NPC1 | |
| SCHEMBL4806644 | 0.90 | BCHE (0.51) | CCR5BCHEKDM4EALDH1A1NPC1 | |
| SCHEMBL4806639 | 0.90 | BCHE (0.51) | CCR5BCHEKDM4EALDH1A1NPC1 | |
| SCHEMBL4804726 | 0.88 | BCHE (0.51) | BCHEKDM4EALDH1A1NPC1HTT | |
| SCHEMBL4804719 | 0.88 | BCHE (0.51) | BCHEKDM4EALDH1A1NPC1HTT | |
| SCHEMBL7207602 | 0.87 | CCR5 (0.46) | CCR5TMEM97ALDH1A1L3MBTL1 | |
| SCHEMBL7207605 | 0.87 | CCR5 (0.46) | CCR5TMEM97ALDH1A1L3MBTL1 | |
| SCHEMBL4804843 | 0.86 | BCHE (0.51) | BCHEKDM4EALDH1A1NPC1HTT |
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 |