Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30604582 | 1.00 | KMT2A (0.53) | KMT2AMEN1CASP3LMNAGAA | |
| SCHEMBL28652153 | 0.90 | KMT2A (0.53) | KMT2AMEN1LMNASMN1; SMN2ACHE | |
| SCHEMBL30604571 | 0.90 | KMT2A (0.53) | KMT2AMEN1LMNASMN1; SMN2ACHE | |
| SCHEMBL28639031 | 0.89 | KMT2A (0.57) | KMT2AMEN1CASP3HDAC1HSP90AA1 | |
| SCHEMBL30604599 | 0.85 | MEN1 (0.53) | KMT2AMEN1CASP3LMNAGAA | |
| SCHEMBL28645766 | 0.85 | MEN1 (0.53) | KMT2AMEN1CASP3LMNAGAA | |
| SCHEMBL28925117 | 0.83 | MEN1 (0.50) | KMT2AMEN1CASP3LMNAGAA | |
| SCHEMBL28656587 | 0.81 | TSHR (0.51) | KMT2AMEN1CASP3SMN1; SMN2HSP90AA1 | |
| SCHEMBL28638165 | 0.81 | MEN1 (0.57) | KMT2AMEN1CASP3LMNASMN1; SMN2 | |
| SCHEMBL28633462 | 0.79 | KMT2A (0.53) | KMT2AMEN1CASP3TDP1HDAC1 |
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 |