Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | TACR2 | P21452 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14294934 | 0.84 | MAPT (0.43) | HDAC1KMT2ATRPA1MAPTNPC1 | |
| SCHEMBL14037778 | 0.83 | HSD17B10 (0.62) | ALDH1A1POLBKMT2AMAPTNPC1 | |
| SCHEMBL14261318 | 0.80 | KMT2A (0.46) | ALDH1A1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL2408237 | 0.80 | HDAC1 (0.61) | HDAC1ALDH1A1TRPA1 | |
| SCHEMBL6357803 | 0.80 | KMT2A (0.46) | ALDH1A1KMT2AMAPTNPC1RAB9A | |
| SCHEMBL25587394 | 0.79 | HDAC1 (0.55) | HDAC1ALDH1A1POLBKMT2AMEN1 | |
| SCHEMBL25587393 | 0.79 | HDAC1 (0.55) | HDAC1ALDH1A1POLBKMT2AMEN1 | |
| SCHEMBL11214430 | 0.78 | HDAC1 (0.62) | HDAC1ALDH1A1POLBKMT2AOPRM1 | |
| SCHEMBL185646 | 0.77 | HDAC1 (0.60) | HDAC1ALDH1A1POLBKMT2ALMNA | |
| SCHEMBL10125347 | 0.77 | OPRM1 (0.54) | HDAC1ALDH1A1POLBKMT2AOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |
| WO-2005021584-A2 | NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS | SCHERING CORPORATION (US) | 2005-03-10 | — | — | WO | disclosed |