Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 13/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 13/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6372053 | 1.00 | KDM4E (0.47) | KDM4ENPC1MAPTRAB9ANPSR1 | |
| SCHEMBL1255999 | 1.00 | KDM4E (0.47) | KDM4ENPC1MAPTRAB9ANPSR1 | |
| SCHEMBL1257914 | 0.91 | HRH4 (0.46) | MAPTHCRTR1HCRTR2USP2CASP1 | |
| SCHEMBL6372844 | 0.91 | HRH4 (0.46) | MAPTHCRTR1HCRTR2USP2CASP1 | |
| SCHEMBL2399174 | 0.91 | HPGD (0.46) | MAPTHCRTR1HCRTR2SMN1; SMN2SLC6A7 | |
| SCHEMBL2400537 | 0.91 | HPGD (0.46) | MAPTHCRTR1HCRTR2SMN1; SMN2SLC6A7 | |
| SCHEMBL6373463 | 0.89 | SLC6A7 (0.40) | KDM4EMAPTHCRTR1HCRTR2USP2 | |
| SCHEMBL1258711 | 0.89 | SLC6A7 (0.40) | KDM4EMAPTHCRTR1HCRTR2USP2 | |
| SCHEMBL1258353 | 0.88 | HCRTR1 (0.45) | HCRTR1HCRTR2HSD17B10 | |
| SCHEMBL6372182 | 0.88 | HCRTR1 (0.45) | HCRTR1HCRTR2HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7880002-B2 | Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-02-01 | — | — | US | disclosed |