Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | FPR1 | P21462 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986457 | 0.93 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL28629552 | 0.86 | KMT2A (0.59) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL19986451 | 0.86 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL19986632 | 0.86 | KMT2A (0.59) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL19986449 | 0.86 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL19986586 | 0.86 | KMT2A (0.59) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL19986659 | 0.86 | KMT2A (0.59) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL28630091 | 0.86 | KMT2A (0.59) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL19986702 | 0.84 | SSTR3 (0.50) | NPC1RAB9ASMN1; SMN2HTTTSHR | |
| SCHEMBL28626555 | 0.84 | SSTR3 (0.50) | NPC1RAB9ASMN1; SMN2HTTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |