Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 5/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19554487 | 1.00 | NPC1 (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2412398 | 0.85 | CASP1 (0.53) | NPC1RAB9AALDH1A1MAOBCASP1 | |
| SCHEMBL1752834 | 0.81 | PDK1 (0.49) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL581917 | 0.81 | CASP1 (0.53) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL30962961 | 0.81 | CASP1 (0.53) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL29779701 | 0.81 | MAOB (0.47) | NPC1RAB9ASMN1; SMN2MAPTMAOB | |
| SCHEMBL19554588 | 0.81 | MAOB (0.47) | NPC1RAB9ASMN1; SMN2MAPTMAOB | |
| SCHEMBL29779702 | 0.81 | MAOB (0.47) | NPC1RAB9ASMN1; SMN2MAPTMAOB | |
| SCHEMBL2413106 | 0.81 | CASP1 (0.58) | ALDH1A1MAOBADORA3CASP1PDK1 | |
| SCHEMBL30519379 | 0.81 | CASP1 (0.58) | ALDH1A1MAOBADORA3CASP1PDK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311902-B | Substituted imidazo [1,2-b ] pyridazines, imidazo [1,5-b ] pyridazines, related compounds, and uses thereof | BIAL研发投资股份有限公司 | 2022-07-15 | — | — | CN | disclosed |