Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | DHPS | P49366 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 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 | |
|---|---|---|---|---|
| SCHEMBL28638401 | 0.89 | HDAC4 (0.48) | KMT2AMEN1HDAC4HDAC1HDAC6 | |
| SCHEMBL30604584 | 0.88 | GRM5 (0.52) | KMT2AMEN1LMNATSHRHTT | |
| SCHEMBL28638924 | 0.88 | GRM5 (0.52) | KMT2AMEN1LMNATSHRHTT | |
| SCHEMBL28633462 | 0.87 | KMT2A (0.53) | KMT2AMEN1HDAC4HDAC1HDAC6 | |
| SCHEMBL28639031 | 0.82 | KMT2A (0.57) | KMT2AMEN1HDAC4HDAC1HDAC6 | |
| SCHEMBL29630709 | 0.81 | ACHE (0.48) | HDAC4HDAC1HDAC6KDM4EDRD4 | |
| SCHEMBL28643695 | 0.79 | LRRK2 (0.37) | HDAC4HDAC1HDAC6LMNATSHR | |
| SCHEMBL24823388 | 0.78 | HDAC1 (0.50) | KMT2AMEN1HDAC4HDAC1HDAC6 | |
| SCHEMBL28656932 | 0.78 | HDAC1 (0.53) | KMT2AMEN1HDAC4HDAC1HDAC6 | |
| SCHEMBL28641201 | 0.77 | GRM5 (0.58) | KMT2AMEN1LMNADHPSDRD2 |
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-113493438-B | Tetrahydroisoquinoline compounds | 南京再明医药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-113493438-A | Tetrahydroisoquinoline compounds | 江苏先声药业有限公司 | 2021-10-12 | — | — | CN | disclosed |