Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.50 |
| ▸ | PNMT | P11086 | 4/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PPOX | P50336 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1756151 | 0.71 | PARP1 (0.47) | PARP1PPOXKDM4EALDH1A1GAA | |
| SCHEMBL6340545 | 0.70 | PARP1 (0.79) | PARP1PPOXTDP2KDM4EALDH1A1 | |
| SCHEMBL11763384 | 0.69 | PARP1 (0.60) | PARP1PPOXTDP2KDM4EALDH1A1 | |
| SCHEMBL17017132 | 0.67 | PARP1 (1.00) | PARP1PPOXTDP2 | |
| SCHEMBL10607840 | 0.66 | PARP1 (0.53) | PARP1PPOXTDP2KDM4EALDH1A1 | |
| SCHEMBL29762295 | 0.66 | PNMT (0.45) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL11742195 | 0.66 | PNMT (0.47) | PNMTADRA2AADRA2BADRA2C | |
| SCHEMBL20778161 | 0.65 | PNMT (0.44) | PNMTADRA2AADRA2BADRA2CMAOA | |
| SCHEMBL19684553 | 0.64 | PNMT (0.42) | PNMTADRA2AADRA2BADRA2CTSHR | |
| SCHEMBL19684561 | 0.64 | PNMT (0.42) | PNMTADRA2AADRA2BADRA2CTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116731064-A | Tricyclic tetrahydroisoquinoline derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-114746424-B | Tricyclic tetrahydroisoquinoline derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-114746424-A | Tricyclic tetrahydro isoquinoline derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-07-12 | — | — | CN | disclosed |