Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | PMM2 | O15305 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4457937 | 0.82 | ACHE (0.48) | ALDH1A1HSD17B10MEN1KMT2AGAA | |
| SCHEMBL30891540 | 0.82 | ACHE (0.48) | ALDH1A1HSD17B10MEN1KMT2AGAA | |
| SCHEMBL29169707 | 0.82 | ALDH1A1 (0.48) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL29169691 | 0.81 | LMNA (0.37) | ALDH1A1HPGDCYP11B1CYP11B2KDM4E | |
| SCHEMBL9780249 | 0.80 | ALDH1A1 (0.47) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL1585001 | 0.80 | ACHE (0.46) | ALDH1A1HSD17B10MEN1KMT2AGAA | |
| SCHEMBL7520839 | 0.80 | ACHE (0.46) | ALDH1A1HSD17B10MEN1KMT2AGAA | |
| SCHEMBL7139905 | 0.80 | ACHE (0.46) | ALDH1A1HSD17B10KMT2AGAAACHE | |
| SCHEMBL7521244 | 0.80 | ACHE (0.46) | ALDH1A1HSD17B10MEN1KMT2AGAA | |
| SCHEMBL11618695 | 0.70 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 |
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-117142916-A | Preparation method of allyl sulfone compound | 安徽金桐精细化学有限公司 | 2023-12-01 | — | — | CN | disclosed |