Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.59 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.43 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6100496 | 0.91 | ALOX5 (0.61) | ALOX5HTR7MAPK14CYP3A4KMT2A | |
| SCHEMBL6086767 | 0.88 | MAPK14 (0.54) | ALOX5HTR7MAPK14HTR6MCHR1 | |
| SCHEMBL6192092 | 0.83 | HTR6 (0.59) | ALOX5MAPK14HTR6KMT2ARAB9A | |
| SCHEMBL3193186 | 0.81 | MAPK14 (0.61) | ALOX5MAPK14KMT2ARAB9ANPC1 | |
| SCHEMBL28349833 | 0.81 | HDAC6 (0.65) | MAPK14BCL2MCL1NPC1MAPT | |
| SCHEMBL24414699 | 0.80 | MAOB (0.56) | ALOX5HTR7MAPK14HTR6MCHR1 | |
| SCHEMBL30991821 | 0.80 | MAOB (0.56) | ALOX5HTR7MAPK14HTR6MCHR1 | |
| SCHEMBL19172461 | 0.80 | HTR7 (0.65) | ALOX5HTR7MAPK14CYP3A4MCHR1 | |
| SCHEMBL6085680 | 0.80 | HTR6 (0.65) | HTR6KMT2A | |
| SCHEMBL9208196 | 0.79 | ALOX5 (0.48) | ALOX5MAPK14HTR6KMT2ABCL2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016196890-A1 | INHIBITORS OF HEXOKINASE AND METHODS OF USE THEREOF | VTV THERAPEUTICS LLC (US) | 2016-12-08 | — | — | WO | disclosed |