Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 12/20 | 0.54 |
| ▸ | MAPT | P10636 | 10/20 | 0.54 |
| ▸ | HPGD | P15428 | 5/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.51 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11963340 | 0.84 | ACHE (0.61) | ACHEL3MBTL1MAPTHPGDCYP2C9 | |
| SCHEMBL171742 | 0.82 | NPSR1 (0.56) | L3MBTL1MAPTHPGDCYP2C9CYP2C19 | |
| SCHEMBL16348227 | 0.81 | ACHE (0.53) | ACHEL3MBTL1MAPTHPGDCYP2C9 | |
| SCHEMBL3055313 | 0.81 | ALDH1A1 (0.43) | ACHEL3MBTL1MAPTHPGDCYP2C9 | |
| SCHEMBL20681622 | 0.81 | KDM4E (0.62) | MAPTPOLBALDH1A1MAPK1MEN1 | |
| SCHEMBL12180584 | 0.81 | ACHE (0.57) | ACHEL3MBTL1MAPTHPGDCYP2C9 | |
| SCHEMBL15801285 | 0.81 | ACHE (0.57) | ACHEL3MBTL1MAPTHPGDCYP2C9 | |
| SCHEMBL18374086 | 0.80 | REN (0.40) | ACHEMAPTALDH1A1NPSR1 | |
| Ammonia Solution, Strong SCHEMBL19664433 | 0.80 | TSHR (0.47) | MAPTHPGDCYP2C9POLBALDH1A1 | |
| SCHEMBL18374445 | 0.80 | MRGPRX4 (0.44) | ACHEMAPTALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104520296-B | Pyrrolopyridinone derivatives as TTX-S blocker | 拉夸里亚创药株式会社 | 2016-11-16 | — | — | CN | disclosed |