Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK1 | P06870 | 1/20 | 0.41 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.35 |
| ▸ | HPGDS | O60760 | 2/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23935054 | 0.85 | KLK1 (0.37) | KLK1KLK5KDM4EF10GABRA1 | |
| SCHEMBL23935007 | 0.85 | HTT (0.36) | KDM4EMAPK1NPSR1GABRA1GABRG2 | |
| SCHEMBL18658824 | 0.74 | KDM4E (0.31) | KDM4EF10 | |
| SCHEMBL23935170 | 0.73 | KLK1 (0.38) | KLK1KLK5KDM4EF10GABRA1 | |
| SCHEMBL18658675 | 0.73 | KLK1 (0.34) | KLK1KLK5F10GABRA1GABRG2 | |
| SCHEMBL23934968 | 0.72 | GABRA1 (0.39) | KDM4EF10GABRA1GABRG2GABRB3 | |
| SCHEMBL18659011 | 0.72 | KLK1 (0.33) | KLK1KLK5KDM4EF10GABRA1 | |
| SCHEMBL18658936 | 0.72 | PARP1 (0.31) | F10 | |
| SCHEMBL25022722 | 0.71 | RORC (0.30) | — | |
| SCHEMBL23935055 | 0.70 | PIK3CA (0.34) | — |
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-3350178-B1 | NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS | PFIZER (US) | 2021-10-20 | — | — | EP | disclosed |