Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20596219 | 0.80 | RAB9A (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL15820597 | 0.78 | ALDH1A1 (0.51) | ALDH1A1NPSR1LMNAMAPTL3MBTL1 | |
| SCHEMBL26879516 | 0.76 | LMNA (0.67) | ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL22798889 | 0.75 | ALDH1A1 (0.70) | ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14484902 | 0.74 | ALDH1A1 (0.46) | ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28646673 | 0.73 | LMNA (0.54) | ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29277418 | 0.72 | ALDH1A1 (0.70) | ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL411401 | 0.72 | TSPO (0.58) | ALDH1A1LMNAMAPTL3MBTL1TSHR | |
| SCHEMBL22798571 | 0.72 | ALDH1A1 (0.53) | ALDH1A1NPSR1LMNAMAPTPOLB | |
| SCHEMBL22813769 | 0.72 | ALDH1A1 (0.53) | ALDH1A1NPSR1LMNAMAPTPOLB |
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-113121398-B | Arylalkylamine compound, preparation method and medical application thereof | 上海拓界生物医药科技有限公司 | 2023-06-20 | — | — | CN | disclosed |
| CN-113121398-A | Aryl alkylamine compound, preparation method and application thereof in medicine | 上海拓界生物医药科技有限公司 | 2021-07-16 | — | — | CN | disclosed |