Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | CA12 | O43570 | 4/20 | 0.56 |
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | CA4 | P22748 | 4/20 | 0.56 |
| ▸ | CA6 | P23280 | 4/20 | 0.56 |
| ▸ | CA5A | P35218 | 4/20 | 0.56 |
| ▸ | CA7 | P43166 | 4/20 | 0.56 |
| ▸ | CA9 | Q16790 | 4/20 | 0.56 |
| ▸ | CA13 | Q8N1Q1 | 4/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | IDH1 | O75874 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16089007 | 1.00 | NPC1 (0.67) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL14847084 | 1.00 | NPC1 (0.67) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL19402297 | 1.00 | NPC1 (0.67) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL16098493 | 0.90 | HPGD (0.54) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL16098495 | 0.90 | HPGD (0.54) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL14831500 | 0.84 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL14831499 | 0.84 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL16097917 | 0.84 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL16097919 | 0.84 | RAB9A (0.52) | NPC1RAB9ASMN1; SMN2HPGDLMNA | |
| SCHEMBL104356 | 0.83 | HPGD (0.62) | NPC1RAB9ACA12CA1CA2 |
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-107216312-B | Compound with mutant IDH inhibitory activity, preparation method and application thereof | 上海海和药物研究开发股份有限公司 | 2023-08-01 | — | — | CN | disclosed |