Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3322655 | 0.81 | SMN1; SMN2 (0.42) | SMN1; SMN2LMNAHTTMAPTADORA2A | |
| SCHEMBL21766426 | 0.75 | NPC1 (0.43) | SMN1; SMN2LMNAMAPTADORA2AADORA2B | |
| SCHEMBL22412126 | 0.75 | SMN1; SMN2 (0.38) | SMN1; SMN2LMNAHTTMAPTADORA2A | |
| SCHEMBL22412127 | 0.75 | SMN1; SMN2 (0.38) | SMN1; SMN2LMNAHTTMAPTADORA2A | |
| SCHEMBL15824550 | 0.73 | ALDH1A1 (0.50) | SMN1; SMN2LMNAHTTMAPTADORA2A | |
| SCHEMBL8649530 | 0.72 | ALDH1A1 (0.54) | SMN1; SMN2LMNAHTTMAPTADORA2A | |
| SCHEMBL19912162 | 0.71 | — | — | |
| SCHEMBL23134903 | 0.69 | ADORA2A (0.42) | ADORA2AADORA2B | |
| SCHEMBL13682869 | 0.69 | GLS (0.35) | KDM4EALDH1A1 | |
| SCHEMBL22538635 | 0.68 | ADORA2A (0.42) | SMN1; SMN2LMNAHTTMAPTADORA2A |
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-2021055326-A1 | AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-03-25 | — | — | WO | disclosed |