Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5862047 | 0.92 | HTT (0.55) | HTTNPC1EPHX2SMN1; SMN2MAPT | |
| SCHEMBL25225127 | 0.79 | HTT (0.47) | HTTEPHX2MAPTALDH1A1CNR2 | |
| SCHEMBL28171366 | 0.74 | SIGMAR1 (0.44) | NPC1EPHX2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL5862098 | 0.74 | SIGMAR1 (0.67) | NPC1SMN1; SMN2MAPTALDH1A1RAB9A | |
| Trifluoroacetic Acid SCHEMBL7562496 | 0.73 | KDM4E (0.62) | HTTSMN1; SMN2 | |
| SCHEMBL28664079 | 0.72 | MAPT (0.53) | HTTSMN1; SMN2MAPTALDH1A1SIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL17317191 | 0.71 | GAA (0.39) | HTTHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL5033621 | 0.71 | SMN1; SMN2 (0.57) | NPC1EPHX2SMN1; SMN2ALDH1A1RAB9A | |
| Trifluoroacetic Acid SCHEMBL5655817 | 0.70 | HTT (0.51) | HTTALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL22031510 | 0.70 | NPC1 (0.39) | HTTNPC1SMN1; SMN2MAPTALDH1A1 |
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-113683610-A | RET inhibitor, pharmaceutical composition and application thereof | 广东东阳光药业有限公司 | 2021-11-23 | — | — | CN | disclosed |