Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | UBE2M | P61081 | 4/20 | 0.45 |
| ▸ | DCUN1D1 | Q96GG9 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7203366 | 1.00 | CCR5 (0.47) | CCR5UBE2MDCUN1D1KMT2ALMNA | |
| SCHEMBL7205075 | 0.90 | ALDH1A1 (0.46) | KMT2ALMNAALDH1A1TSHRLSS | |
| SCHEMBL7205073 | 0.90 | ALDH1A1 (0.46) | KMT2ALMNAALDH1A1TSHRLSS | |
| SCHEMBL4804621 | 0.88 | LSS (0.48) | CCR5UBE2MDCUN1D1KMT2ALMNA | |
| SCHEMBL4804611 | 0.88 | LSS (0.48) | CCR5UBE2MDCUN1D1KMT2ALMNA | |
| SCHEMBL7211730 | 0.88 | DRD4 (0.39) | UBE2MDCUN1D1LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL7211726 | 0.88 | DRD4 (0.39) | UBE2MDCUN1D1LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL7206024 | 0.86 | LSS (0.48) | CCR5KMT2ALSSRAB9A | |
| SCHEMBL7209439 | 0.86 | FPR3 (0.42) | KMT2AMEN1LSSRAB9A | |
| SCHEMBL7209436 | 0.86 | FPR3 (0.42) | KMT2AMEN1LSSRAB9A |
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 |