Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.37 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13409560 | 0.84 | ALDH1A1 (0.39) | ADORA1KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL1536291 | 0.79 | ADORA1 (0.54) | ADORA1KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL8273101 | 0.78 | ALDH1A1 (0.44) | ADORA1KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL3968912 | 0.71 | HPGD (0.57) | ADORA1KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL8274224 | 0.71 | ADORA1 (1.00) | ADORA1KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL3952773 | 0.70 | TNKS (0.47) | KMT2AALDH1A1MEN1KDM4EPDE4B | |
| SCHEMBL28316951 | 0.69 | CCR1 (0.39) | KDM4EPDE4BCYP1A2RAB9AHSP90AA1 | |
| SCHEMBL28510373 | 0.68 | NT5E (0.63) | KMT2AALDH1A1MEN1KDM4EMAPT | |
| SCHEMBL28000913 | 0.67 | KDM4E (0.43) | ADORA1KDM4EPDE4BCYP1A2GAA | |
| SCHEMBL3208142 | 0.67 | SMPD3 (0.41) | KMT2AALDH1A1MEN1KDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863793-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-07-04 | — | — | EP | disclosed |
| US-7705146-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-27 | — | — | US | disclosed |
| WO-2006000085-A1 | HEPATITIS C INHIBITOR PEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-05 | — | — | WO | disclosed |