Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | RAB9A | P51151 | 7/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11945027 | 0.85 | MAPT (0.49) | ALDH1A1LMNAMAPTPOLBDCTPP1 | |
| SCHEMBL17058188 | 0.82 | NPC1 (0.39) | ALDH1A1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL17057874 | 0.82 | NPC1 (0.40) | ALDH1A1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL17057993 | 0.80 | RAB9A (0.34) | ALDH1A1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL17057898 | 0.79 | SMN1; SMN2 (0.38) | ALDH1A1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL17058337 | 0.79 | SCN9A (0.36) | ALDH1A1SLC2A1SLC2A3 | |
| SCHEMBL17058118 | 0.79 | NPC1 (0.43) | ALDH1A1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL17057951 | 0.79 | SLC2A1 (0.34) | ALDH1A1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL17057916 | 0.78 | NPC1 (0.41) | ALDH1A1RAB9ASMN1; SMN2NPC1LMNA | |
| SCHEMBL17058372 | 0.78 | SMN1; SMN2 (0.47) | ALDH1A1RAB9ASMN1; SMN2NPC1LMNA |
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 |