Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | TP53 | P04637 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18281419 | 0.79 | SMN1; SMN2 (0.39) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL10532301 | 0.77 | NPC1 (0.55) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL3108835 | 0.76 | NPC1 (0.54) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL14076027 | 0.76 | NPC1 (0.54) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL13750723 | 0.76 | RAB9A (0.54) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL17303153 | 0.73 | ALDH1A1 (0.51) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL17303160 | 0.72 | TP53 (0.52) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL13730992 | 0.72 | RAB9A (0.50) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL13744906 | 0.72 | NPC1 (0.53) | NPC1RAB9ATP53ALDH1A1ALDH1A3 | |
| SCHEMBL3263422 | 0.70 | DYRK1A (0.49) | NPC1RAB9AALDH1A1ALDH1A3GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0225522-A1 | Imidazopyridazine alkene carboxamides, process for their preparation, intermediate products and their preparation | BAYER AG (DE) | 1987-06-16 | — | — | EP | disclosed |