Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 8/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 8/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28830779 | 0.78 | NPC1 (0.41) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL8285021 | 0.77 | ALDH1A1 (0.52) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL24023602 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL20238711 | 0.75 | SLC6A4 (0.43) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL765609 | 0.73 | ALDH1A1 (0.49) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL9859659 | 0.71 | KMT2A (0.46) | ALDH1A1KMT2AHTTHSP90AA1GAA | |
| SCHEMBL8285901 | 0.71 | SMN1; SMN2 (0.35) | ALDH1A1LMNA | |
| SCHEMBL8285916 | 0.70 | L3MBTL1 (0.47) | ALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL13096521 | 0.70 | L3MBTL1 (0.47) | ALDH1A1KMT2AMEN1LMNA | |
| Butidrine SCHEMBL6510088 | 0.69 | ADRB2 (0.47) | ALDH1A1KMT2AGAAMEN1CYP1A2 |
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 |