Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 14/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 14/20 | 0.59 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4678502 | 0.79 | SLC6A3 (0.60) | SLC6A2SLC6A4SLC6A3OPRD1 | |
| SCHEMBL27587916 | 0.77 | SLC6A2 (0.58) | SLC6A2SLC6A4SLC6A3OPRD1 | |
| SCHEMBL13476481 | 0.71 | SLC6A4 (0.63) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6994952 | 0.71 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3MMP1MMP2 | |
| SCHEMBL5736102 | 0.69 | SLC6A3 (0.52) | SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL25325254 | 0.69 | USP2 (0.44) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23555216 | 0.68 | FPR2 (0.41) | SLC6A2SLC6A4SLC6A3ALDH1A1CHRM2 | |
| SCHEMBL16975845 | 0.67 | HTR1E (0.56) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13114874 | 0.67 | CACNA2D1 (0.50) | SLC6A2SLC6A4SLC6A3OPRD1 | |
| SCHEMBL23212038 | 0.67 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3 |
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-1220842-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001025200-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-12 | — | — | WO | disclosed |