Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19554631 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL19554584 | 0.86 | ADORA2A (0.43) | ALDH1A1KDM4EHPGDHSD17B10ADORA1 | |
| SCHEMBL29779673 | 0.86 | ADORA2A (0.43) | ALDH1A1KDM4EHPGDHSD17B10ADORA1 | |
| SCHEMBL19554618 | 0.80 | MAPT (0.47) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL19554630 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL19554641 | 0.75 | NPC1 (0.44) | ALDH1A1KDM4ESMN1; SMN2MAPTNPC1 | |
| Hydrochloric Acid SCHEMBL19554599 | 0.73 | MAOB (0.47) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL1142614 | 0.69 | MTNR1A (0.61) | ALDH1A1HTTRAB9A | |
| SCHEMBL11464590 | 0.68 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2HPGDUSP2MAPT | |
| SCHEMBL884338 | 0.67 | ALDH1A1 (0.58) | ALDH1A1HPGDMAPTNPSR1HTT |
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 |