Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | FPR2 | P25090 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2722768 | 0.83 | SMN1; SMN2 (0.59) | ALDH1A1HDAC1SMN1; SMN2HTTHDAC4 | |
| SCHEMBL20972030 | 0.81 | IDO1 (0.62) | ALDH1A1HDAC1SMN1; SMN2HTTHDAC4 | |
| SCHEMBL15484022 | 0.77 | HDAC1 (0.49) | ALDH1A1HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL23588019 | 0.77 | SLC18A3 (0.43) | ALDH1A1HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL20060916 | 0.77 | SMN1; SMN2 (0.65) | ALDH1A1SMN1; SMN2HTTHDAC4IDO1 | |
| SCHEMBL17285705 | 0.76 | HDAC4 (0.65) | ALDH1A1HDAC1SMN1; SMN2HTTHDAC4 | |
| SCHEMBL21726317 | 0.76 | HSD11B1 (0.56) | ALDH1A1HDAC1SMN1; SMN2HTTHDAC4 | |
| SCHEMBL2329004 | 0.75 | HDAC1 (0.61) | ALDH1A1HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL2084 | 0.75 | HDAC1 (0.45) | ALDH1A1HDAC1HDAC3HDAC7HDAC2 | |
| SCHEMBL14067363 | 0.75 | SMN1; SMN2 (0.68) | ALDH1A1HDAC1SMN1; SMN2HTTHDAC4 |
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-112812061-B | N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof | 苏州恩华生物医药科技有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-112812061-A | N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof | 江苏恩华药业股份有限公司 | 2021-05-18 | — | — | CN | disclosed |