Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.62 |
| ▸ | MAOA | P21397 | 3/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | BCL2 | P10415 | 5/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29632886 | 0.86 | BCL2 (0.67) | TTRMAOAMAOBBCL2MCL1 | |
| SCHEMBL705681 | 0.86 | BCL2 (0.67) | TTRMAOAMAOBBCL2MCL1 | |
| SCHEMBL16225876 | 0.84 | TTR (0.57) | TTRMAOAESR1UGT1A1MAOB | |
| SCHEMBL16226535 | 0.82 | MAPT (0.49) | TTRMAOAESR1UGT1A1MAOB | |
| SCHEMBL28232665 | 0.82 | PTPN1 (0.60) | TTRBCL2MCL1LCKPTPN1 | |
| SCHEMBL9230208 | 0.81 | EGFR (0.56) | MAOAESR1MAOBESR2BCL2 | |
| SCHEMBL22719980 | 0.78 | TTR (0.66) | TTRMAOAESR1UGT1A1MAOB | |
| SCHEMBL31237387 | 0.78 | TTR (0.66) | TTRMAOAESR1UGT1A1MAOB | |
| SCHEMBL17866819 | 0.78 | ELANE (0.51) | MAOAESR1MAOBESR2BCL2 | |
| SCHEMBL1495097 | 0.77 | TTR (1.00) | TTRMAOAESR1UGT1A1MAOB |
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-112194690-B | 3 compounds in radix Rubiae and extraction and separation method | 贵州医科大学 | 2023-10-20 | — | — | CN | disclosed |
| CN-112194690-B | 3 compounds in radix Rubiae and extraction and separation method | 贵州医科大学 | 2023-10-20 | — | — | CN | disclosed |