Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 3/20 | 0.43 |
| ▸ | CFD | P00746 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056341 | 0.83 | KDM4E (0.46) | ALDH1A1KDM4ETSHRHSD17B10PTGS2 | |
| SCHEMBL17633503 | 0.72 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRHPGDPTGS1 | |
| SCHEMBL7540702 | 0.71 | KDM4E (0.46) | ALDH1A1KDM4ETSHRHSD17B10PTGS2 | |
| SCHEMBL28149854 | 0.71 | MAPT (0.41) | ALDH1A1KDM4EBACE1ADORA2AADORA1 | |
| SCHEMBL27819709 | 0.70 | TSHR (0.45) | ALDH1A1KDM4ETSHRHSD17B10PTGS2 | |
| SCHEMBL4900117 | 0.70 | KDM4E (0.51) | ALDH1A1KDM4EHSD17B10TDP1MAPK1 | |
| SCHEMBL9458572 | 0.69 | CFD (0.53) | ALDH1A1KDM4ETSHRHSD17B10PTGS2 | |
| SCHEMBL27318392 | 0.68 | CFD (0.61) | ALDH1A1KDM4ETSHRHSD17B10PTGS2 | |
| SCHEMBL9513770 | 0.68 | BACE1 (0.56) | ALDH1A1KDM4ETSHRHSD17B10PTGS2 | |
| SCHEMBL9502623 | 0.68 | ALDH1A1 (0.37) | ALDH1A1KDM4EHPGDADORA2AADORA1 |
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-105503877-A | Imidazopyridazine compound and application thereof | HUTCHISON MEDIPHARMA LTD | 2016-04-20 | — | — | CN | disclosed |