Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.33 |
| ▸ | ACVR1B | P36896 | 2/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 2/20 | 0.32 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.31 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12440840 | 0.94 | ACACB (0.37) | ACACBACACATGFBR1MAP4K4ACVR1B | |
| SCHEMBL12439726 | 0.88 | TGFBR1 (0.41) | TGFBR1MAP4K4HTR1ADRD3OPRK1 | |
| SCHEMBL12440047 | 0.82 | TGFBR1 (0.46) | TGFBR1MAP4K4METIDO1 | |
| SCHEMBL13968476 | 0.80 | CYP3A4 (0.41) | — | |
| SCHEMBL2325058 | 0.80 | TGFBR1 (0.41) | TGFBR1MAP4K4METIDO1 | |
| SCHEMBL2327513 | 0.79 | MET (0.42) | TGFBR1METPDK2 | |
| SCHEMBL12440044 | 0.78 | FEN1 (0.43) | TGFBR1MAP4K4MAPK1 | |
| SCHEMBL12440841 | 0.77 | TGFBR1 (0.36) | TGFBR1MAP4K4METIDO1MAPK1 | |
| SCHEMBL13968445 | 0.76 | TGFBR1 (0.45) | TGFBR1MAP4K4METHCRTR1HCRTR2 | |
| SCHEMBL13968474 | 0.75 | KDR (0.36) | TGFBR1MAP4K4ACVRL1METMAPK1 |
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-2011095196-A1 | HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2011-08-11 | — | — | WO | disclosed |