Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17058188 | 0.90 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL17058048 | 0.88 | PDE4A (0.35) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL17057874 | 0.86 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL11944585 | 0.85 | MAPT (0.38) | NPC1RAB9ASMN1; SMN2ALDH1A1POLB | |
| SCHEMBL17058429 | 0.85 | SLC2A1 (0.31) | NPC1RAB9ASMN1; SMN2MCHR1GRM7 | |
| SCHEMBL17057892 | 0.84 | ALDH1A1 (0.34) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL17058167 | 0.82 | NPBWR1 (0.37) | ALDH1A1POLBMCHR1NPBWR1 | |
| SCHEMBL17057993 | 0.81 | RAB9A (0.34) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL17058038 | 0.81 | NPBWR1 (0.36) | SMN1; SMN2ALDH1A1POLBMCHR1MAPK1 | |
| SCHEMBL17058316 | 0.81 | SLC2A1 (0.35) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |