Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28638165 | 0.92 | MEN1 (0.57) | KMT2AMEN1CASP3TSHRHDAC4 | |
| SCHEMBL28633462 | 0.90 | KMT2A (0.53) | KMT2AMEN1CASP3HDAC4HDAC1 | |
| SCHEMBL28645766 | 0.90 | MEN1 (0.53) | KMT2AMEN1CASP3TSHRALDH1A1 | |
| SCHEMBL28925117 | 0.90 | MEN1 (0.50) | KMT2AMEN1CASP3HDAC4HDAC1 | |
| SCHEMBL28656587 | 0.90 | TSHR (0.51) | KMT2AMEN1CASP3TSHRPARP1 | |
| SCHEMBL30604585 | 0.90 | MEN1 (0.47) | KMT2AMEN1CASP3TSHRTRPC5 | |
| SCHEMBL30604599 | 0.90 | MEN1 (0.53) | KMT2AMEN1CASP3TSHRALDH1A1 | |
| SCHEMBL28633459 | 0.90 | MEN1 (0.47) | KMT2AMEN1CASP3TSHRTRPC5 | |
| SCHEMBL28645349 | 0.89 | KMT2A (0.53) | KMT2AMEN1CASP3HDAC1HSP90AA1 | |
| SCHEMBL30604582 | 0.89 | KMT2A (0.53) | KMT2AMEN1CASP3HDAC1HSP90AA1 |
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 |