Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.56 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.55 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL791661 | 0.88 | ALDH1A1 (0.59) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL9815416 | 0.87 | RAB9A (0.63) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL19720235 | 0.83 | ALDH1A1 (0.53) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL6239816 | 0.82 | SIRT2 (0.47) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL1817688 | 0.82 | RAB9A (0.64) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL840217 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL7666457 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL1548607 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL8421120 | 0.81 | AOC3 (0.57) | ALDH1A1CYP1A2RAB9AMEN1KMT2A | |
| SCHEMBL6239811 | 0.81 | SIRT2 (0.49) | ALDH1A1CYP1A2RAB9AMEN1KMT2A |
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-114539129-A | Allylamine bifunctional compound and application thereof | 上海中医药大学附属龙华医院 | 2022-05-27 | — | — | CN | disclosed |