Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.46 |
| ▸ | AGER | Q15109 | 3/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP7 | P09237 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | UBE2M | P61081 | 1/20 | 0.41 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9456418 | 0.87 | AGER (0.58) | CCR5CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14675152 | 0.85 | HSD11B1 (0.53) | OPRM1AGERMTNR1ACHRM2CHRM3 | |
| SCHEMBL14675151 | 0.85 | HSD11B1 (0.53) | OPRM1AGERMTNR1ACHRM2CHRM3 | |
| SCHEMBL736914 | 0.85 | AGER (0.50) | OPRM1AGERMTNR1ACHRM2CHRM3 | |
| SCHEMBL736913 | 0.85 | AGER (0.50) | OPRM1AGERMTNR1ACHRM2CHRM3 | |
| SCHEMBL4807302 | 0.84 | PTGDR2 (0.46) | CCR5OPRM1AGERMTNR1ACHRM2 | |
| SCHEMBL28019674 | 0.84 | CCR5 (0.47) | CCR5CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4807309 | 0.84 | PTGDR2 (0.46) | CCR5OPRM1AGERMTNR1ACHRM2 | |
| SCHEMBL6482121 | 0.82 | CCR5 (0.43) | CCR5CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6482118 | 0.82 | CCR5 (0.43) | CCR5CYP2D6SLC6A2SLC6A4SLC6A3 |
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-100455566-C | Novel derivatives of aminocyclohexane | HOFFMANN LA ROCHE (CH) | 2009-01-28 | — | — | CN | disclosed |
| CN-1468214-A | Novel derivatives of aminocyclohexane | - | 2004-01-14 | — | — | CN | disclosed |