Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | GPR3 | P46089 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | AHR | P35869 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5030 | 0.98 | ALDH1A1 (0.54) | ALDH1A1GPR3HSD17B10AHRKDM4E | |
| SCHEMBL28379563 | 0.96 | ALDH1A1 (0.52) | ALDH1A1GPR3HSD17B10AHRKDM4E | |
| Ammonia Solution, Strong SCHEMBL29143440 | 0.96 | ALDH1A1 (0.52) | ALDH1A1GPR3HSD17B10AHRKDM4E | |
| SCHEMBL26678217 | 0.96 | ALDH1A1 (0.52) | ALDH1A1GPR3HSD17B10AHRKDM4E | |
| SCHEMBL28756926 | 0.96 | ALDH1A1 (0.52) | ALDH1A1GPR3HSD17B10AHRKDM4E | |
| Water SCHEMBL28255864 | 0.94 | ALDH1A1 (0.50) | ALDH1A1GPR3HSD17B10AHRKDM4E | |
| SCHEMBL27478305 | 0.90 | ALDH1A1 (0.46) | ALDH1A1GPR3HSD17B10AHRKDM4E | |
| SCHEMBL28756890 | 0.85 | KIF11 (0.50) | ALDH1A1GPR3HSD17B10AHRKDM4E | |
| SCHEMBL15009544 | 0.82 | ALDH1A1 (0.61) | ALDH1A1GPR3HSD17B10KDM4EKMT2A | |
| SCHEMBL16669006 | 0.82 | ALDH1A1 (0.33) | ALDH1A1GPR3HSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115960032-A | Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof | 复旦大学 | 2023-04-14 | — | — | CN | claimed |
| CN-111747981-A | Transition metal compound and preparation method and application thereof | 万华化学集团股份有限公司 | 2020-10-09 | — | — | CN | claimed |