Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 4/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22879371 | 0.81 | LMNA (0.40) | F2PRSS1ALDH1A1LMNARECQL | |
| SCHEMBL24119479 | 0.81 | LMNA (0.38) | F2PRSS1ALDH1A1LMNARECQL | |
| SCHEMBL21400399 | 0.79 | ABCB1 (0.44) | F2PRSS1 | |
| SCHEMBL16257250 | 0.77 | PARP1 (0.50) | ALDH1A1LMNARECQLPARP1MEN1 | |
| SCHEMBL15256958 | 0.75 | LMNA (0.43) | ALDH1A1LMNARECQLPARP1MEN1 | |
| SCHEMBL21312462 | 0.73 | PARP1 (0.36) | ALDH1A1LMNAPARP1MAPTHPGD | |
| SCHEMBL15256933 | 0.72 | ALDH1A1 (0.50) | ALDH1A1LMNAMEN1CYP1A2CYP3A4 | |
| SCHEMBL21311821 | 0.72 | PARP1 (0.42) | ALDH1A1LMNARECQLPARP1MEN1 | |
| SCHEMBL21311830 | 0.71 | CYP2A6 (0.35) | ALDH1A1LMNAPARP1MAPTHPGD | |
| SCHEMBL5529318 | 0.70 | PRSS1 (0.44) | F2PRSS1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |