Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1293407 | 0.77 | HSD17B1 (0.46) | HSD17B1KIF11MAPTSMN1; SMN2ADORA3 | |
| SCHEMBL1759076 | 0.76 | CYP2A6 (0.44) | HSD17B1KIF11MAPTSMN1; SMN2CYP1A2 | |
| SCHEMBL27887117 | 0.74 | HSD17B1 (0.46) | HSD17B1KIF11MAPTSMN1; SMN2ADORA3 | |
| SCHEMBL26327985 | 0.72 | KMT2A (0.57) | HSD17B1KIF11MAPTSMN1; SMN2XDH | |
| SCHEMBL1641043 | 0.71 | HRH3 (0.55) | — | |
| SCHEMBL1641044 | 0.71 | HRH3 (0.55) | — | |
| SCHEMBL1293873 | 0.70 | MAPT (0.57) | HSD17B1KIF11MAPTSMN1; SMN2ADORA3 | |
| SCHEMBL266084 | 0.70 | BACE1 (0.49) | MAPTHDAC2CYP1A2 | |
| SCHEMBL14539003 | 0.70 | NPC1 (0.66) | MAPTSMN1; SMN2MAP4K4CSNK1G2CLK4 | |
| SCHEMBL18260221 | 0.68 | MAPT (0.64) | HSD17B1KIF11MAPTSMN1; SMN2HDAC2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499127-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| EP-2499115-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011059887-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011059850-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |