Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | OGG1 | O15527 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29007609 | 0.76 | GSK3B (0.47) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL11372121 | 0.71 | HTT (1.00) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL11372119 | 0.71 | HTT (1.00) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL11982054 | 0.69 | HTT (0.75) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL4528980 | 0.69 | HTT (0.75) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL3391098 | 0.69 | HTT (0.75) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL10813395 | 0.69 | CES2 (0.60) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL11372320 | 0.69 | CES2 (0.60) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL10813399 | 0.69 | CES2 (0.60) | HTTCES2CES1HDAC3HDAC1 | |
| SCHEMBL557285 | 0.66 | CES2 (1.00) | HTTCES2CES1HDAC3HDAC1 |
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-2242752-A1 | IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009102325-A1 | IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-20 | — | — | WO | disclosed |