Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.43 |
| ▸ | STS | P08842 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6105379 | 0.96 | HPGD (0.53) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL5771978 | 0.96 | HPGD (0.53) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL31571053 | 0.83 | HPGD (0.54) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL28195249 | 0.81 | HPGD (0.68) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL4722920 | 0.81 | HPGD (0.47) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL17868663 | 0.80 | MAPT (0.46) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL14251617 | 0.80 | HPGD (0.43) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL12321125 | 0.79 | HPGD (0.66) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL5258129 | 0.78 | HPGD (0.51) | HPGDRECQLEPHX1PTPN2PTPN1 | |
| SCHEMBL22518636 | 0.77 | HPGD (0.68) | HPGDRECQLEPHX1PTPN2PTPN1 |
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-1907372-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007003965-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2007-01-11 | — | — | WO | disclosed |