Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.53 |
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | KDM4B | O94953 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21097102 | 0.83 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL21096506 | 0.80 | CYP2C9 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL21061964 | 0.80 | KDM4E (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL21061908 | 0.80 | KDM4E (0.41) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL20489612 | 0.80 | MGAM (0.37) | NPC1RAB9ASMN1; SMN2HCAR2ALDH1A1 | |
| SCHEMBL30858935 | 0.78 | NR4A1 (0.42) | NPC1RAB9ASMN1; SMN2HCAR2ALDH1A1 | |
| SCHEMBL21062055 | 0.76 | HCAR3 (0.46) | SMN1; SMN2HCAR2ALDH1A1MAPTHSD17B10 | |
| SCHEMBL21061888 | 0.76 | KDM4E (0.35) | NPC1RAB9ASMN1; SMN2HCAR2ALDH1A1 | |
| SCHEMBL21061858 | 0.75 | AADAT (0.39) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL21061812 | 0.75 | KDM4E (0.37) | NPC1RAB9ASMN1; SMN2HCAR2ALDH1A1 |
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-2018059314-A1 | AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2018-04-05 | — | — | WO | disclosed |