Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | VDR | P11473 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | AGER | Q15109 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9582126 | 1.00 | PTGS2 (0.38) | PTGS2CYP2D6PTGS1CYP1A2ALDH1A1 | |
| SCHEMBL2335241 | 0.78 | PTGS2 (0.36) | PTGS2CYP2D6PTGS1CYP1A2ALDH1A1 | |
| SCHEMBL2341653 | 0.63 | — | — | |
| SCHEMBL7754632 | 0.61 | CYP2D6 (0.45) | CYP2D6CYP1A2ALDH1A1MAPTHTT | |
| SCHEMBL7754518 | 0.61 | CYP2D6 (0.45) | CYP2D6CYP1A2ALDH1A1MAPTHTT | |
| SCHEMBL28368168 | 0.61 | CYP2D6 (0.45) | CYP2D6CYP1A2ALDH1A1MAPTHTT | |
| SCHEMBL7752502 | 0.61 | CYP2D6 (0.45) | CYP2D6CYP1A2ALDH1A1MAPTHTT | |
| SCHEMBL18047845 | 0.61 | CYP2D6 (0.51) | CYP2D6CYP1A2ALDH1A1GAAKMT2A | |
| SCHEMBL11024375 | 0.60 | CYP2D6 (0.58) | CYP2D6CYP1A2ALDH1A1ACHEGAA | |
| SCHEMBL14780218 | 0.60 | CYP2D6 (0.64) | CYP2D6CYP1A2ALDH1A1ACHEGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0390135-B1 | Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same | OTSUKA PHARMA CO LTD (JP) | 1996-06-05 | — | — | EP | disclosed |