Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 14/20 | 0.58 |
| ▸ | NPC1 | O15118 | 13/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30089442 | 1.00 | RAB9A (0.58) | RAB9ANPC1KMT2AMEN1PKM | |
| Trifluoroacetic Acid SCHEMBL28901224 | 1.00 | RAB9A (0.58) | RAB9ANPC1KMT2AMEN1PKM | |
| Trifluoroacetic Acid SCHEMBL28901249 | 1.00 | RAB9A (0.58) | RAB9ANPC1KMT2AMEN1PKM | |
| Trifluoroacetic Acid SCHEMBL30089462 | 1.00 | RAB9A (0.58) | RAB9ANPC1KMT2AMEN1PKM | |
| Trifluoroacetic Acid SCHEMBL30089538 | 1.00 | RAB9A (0.58) | RAB9ANPC1KMT2AMEN1PKM | |
| SCHEMBL21780042 | 0.94 | RAB9A (0.65) | RAB9ANPC1KMT2AMEN1PKM | |
| SCHEMBL21780051 | 0.94 | RAB9A (0.65) | RAB9ANPC1KMT2AMEN1PKM | |
| Trifluoroacetic Acid SCHEMBL21768093 | 0.83 | MAOB (0.60) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL21768091 | 0.83 | MAOB (0.60) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL21768094 | 0.82 | AOC3 (0.61) | RAB9ANPC1KMT2AMEN1SMN1; SMN2 |
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-110352188-B | Fluoroallylamine derivatives and use thereof | 四川科伦博泰生物医药股份有限公司 | 2022-11-29 | — | — | CN | disclosed |