Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 1.00 |
| ▸ | GAA | P10253 | 3/20 | 0.68 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.43 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.43 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.43 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.43 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.43 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.43 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.43 |
| ▸ | TUBB1 | Q9H4B7 | 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 | |
|---|---|---|---|---|
| SCHEMBL108063 | 1.00 | NPC1 (1.00) | NPC1GAAHSP90AA1HSP90AB1TAAR1 | |
| Hydrochloric Acid SCHEMBL3276689 | 0.98 | NPC1 (0.95) | NPC1GAAHSP90AA1HSP90AB1TAAR1 | |
| SCHEMBL9116148 | 0.91 | NPC1 (0.83) | NPC1GAAHSP90AA1HSP90AB1TAAR1 | |
| SCHEMBL5951825 | 0.88 | GAA (0.78) | NPC1GAAHSP90AA1HSP90AB1TAAR1 | |
| SCHEMBL1707866 | 0.88 | NPC1 (0.78) | NPC1GAATAAR1TUBB4ATUBB | |
| SCHEMBL4805724 | 0.86 | GAA (0.75) | NPC1GAATUBB4ATUBBTUBA3C | |
| SCHEMBL29466462 | 0.86 | GAA (0.83) | NPC1GAAHSP90AA1HSP90AB1TAAR1 | |
| SCHEMBL92067 | 0.86 | GAA (0.83) | NPC1GAAHSP90AA1HSP90AB1TAAR1 | |
| Hydrochloric Acid SCHEMBL1401287 | 0.86 | GAA (0.75) | NPC1GAAHSP90AA1HSP90AB1TAAR1 | |
| Hydrochloric Acid SCHEMBL5011472 | 0.84 | GAA (0.79) | NPC1GAAHSP90AA1HSP90AB1TAAR1 |
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-111116397-B | Synthesis method of bosutinib intermediate | 江苏远大仙乐药业有限公司 | 2022-04-15 | — | — | CN | claimed |