Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633732 | 0.82 | MAPK1 (0.43) | ALDH1A1KMT2AHPGDLMNAMEN1 | |
| SCHEMBL3696429 | 0.77 | RORC (0.46) | ALDH1A1KMT2AMAPK1SMN1; SMN2FPR2 | |
| SCHEMBL3631858 | 0.77 | MAPK1 (0.46) | ALDH1A1KMT2ALMNAMAPK1SMN1; SMN2 | |
| SCHEMBL4114 | 0.75 | OPRM1 (0.56) | — | |
| SCHEMBL4608 | 0.75 | GAA (0.50) | MAPTALDH1A1KMT2AHPGDLMNA | |
| SCHEMBL23216359 | 0.73 | NLRP3 (0.41) | ALDH1A1KMT2AHPGDNPSR1NLRP3 | |
| SCHEMBL16179493 | 0.73 | KMT2A (0.44) | MAPTALDH1A1KMT2AHPGDLMNA | |
| SCHEMBL27970983 | 0.72 | ALDH1A1 (0.39) | MAPTALDH1A1KMT2AHPGDLMNA | |
| SCHEMBL343848 | 0.72 | OPRM1 (0.56) | — | |
| SCHEMBL9900225 | 0.71 | GAA (0.47) | MAPTALDH1A1KMT2AHPGDLMNA |
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 |