Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.75 |
| ▸ | GAA | P10253 | 4/20 | 0.75 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | ALPL | P05186 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19277764 | 0.84 | GAA (0.75) | ALDH1A1GAAMAPTKMT2AMEN1 | |
| SCHEMBL4765694 | 0.81 | KDM4E (0.69) | ALDH1A1GAAMAPTKMT2AMEN1 | |
| SCHEMBL1275812 | 0.81 | KMT2A (0.72) | ALDH1A1GAAKMT2AMEN1KDM4E | |
| SCHEMBL6130342 | 0.80 | ALDH1A1 (0.68) | ALDH1A1GAAMAPTKMT2AMEN1 | |
| SCHEMBL28220669 | 0.79 | GAA (0.71) | ALDH1A1GAAMAPTKMT2AMEN1 | |
| SCHEMBL28182829 | 0.79 | ALDH1A1 (0.66) | ALDH1A1GAAMAPTKMT2AMEN1 | |
| SCHEMBL28634224 | 0.78 | EPHX1 (0.61) | ALDH1A1GAAMAPTKMT2AMEN1 | |
| SCHEMBL28635155 | 0.78 | ALDH1A1 (0.59) | ALDH1A1MAPTKMT2AMEN1ALOX12 | |
| SCHEMBL28645469 | 0.78 | NPC1 (0.68) | ALDH1A1GAAMAPTKMT2AMEN1 | |
| SCHEMBL28638817 | 0.78 | NPC1 (0.54) | ALDH1A1GAAKMT2AMEN1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113480524-A | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2021-10-08 | — | — | CN | claimed |
| CN-113480524-B | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-113480524-A | Alkaloid hamacanthins series derivatives, and preparation method and application thereof | 河北工业大学 | 2021-10-08 | — | — | CN | disclosed |