Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 2/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.35 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17057971 | 0.79 | ALDH1A1 (0.36) | ALDH1A1RAB9ANPC1MAPTNPSR1 | |
| SCHEMBL17058511 | 0.79 | MAPT (0.45) | ALDH1A1RAB9ANPC1MAPTNPSR1 | |
| SCHEMBL17058434 | 0.77 | RAB9A (0.50) | ALDH1A1RAB9ANPC1MAPTNPSR1 | |
| SCHEMBL11943699 | 0.76 | CYP17A1 (0.47) | ALDH1A1RAB9ANPC1MAPTNPSR1 | |
| SCHEMBL11943777 | 0.76 | MAPT (0.46) | ALDH1A1RAB9ANPC1MAPTNPSR1 | |
| SCHEMBL11943803 | 0.76 | MAPT (0.49) | ALDH1A1MAPTNPSR1LMNAPOLB | |
| SCHEMBL17058243 | 0.76 | ALDH1A1 (0.36) | ALDH1A1RAB9ANPC1MAPTNPSR1 | |
| SCHEMBL17058188 | 0.76 | NPC1 (0.39) | ALDH1A1RAB9ANPC1MAPTNPSR1 | |
| SCHEMBL17058393 | 0.74 | SLC2A1 (0.36) | ALDH1A1RAB9ANPC1MAPTNPSR1 | |
| SCHEMBL17058397 | 0.74 | ALDH1A1 (0.35) | ALDH1A1RAB9ANPC1MAPTNPSR1 |
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-2008115381-A1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | SCHERING CORPORATION (US) | 2008-09-25 | — | — | WO | disclosed |