Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL31165729 | 0.76 | GRM4 (0.41) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 | |
| SCHEMBL855507 | 0.76 | GRM4 (0.41) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 | |
| SCHEMBL7458309 | 0.70 | PDE7A (0.35) | ALDH1A1KDM4EMAPT | |
| SCHEMBL6589021 | 0.70 | KDM4E (0.42) | ALDH1A1KDM4EMAPTGSK3B | |
| SCHEMBL7488162 | 0.69 | TLR8 (0.34) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 | |
| SCHEMBL11704181 | 0.68 | MAPT (0.57) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 | |
| SCHEMBL6980601 | 0.67 | TP53 (0.30) | — | |
| SCHEMBL6589014 | 0.67 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL6772566 | 0.67 | ALDH1A1 (0.33) | ALDH1A1KDM4EMAPTHSD17B10AXL | |
| SCHEMBL2973155 | 0.65 | MAPT (0.39) | ALDH1A1SMN1; SMN2KDM4EMAPTHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070065-B1 | AZABICYCLIC 5HT1 RECEPTOR LIGANDS | PFIZER PROD INC (US) | 2003-09-03 | — | — | EP | disclosed |
| EP-1274708-A1 | HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2003-01-15 | — | — | EP | disclosed |
| WO-2001079203-A1 | HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-25 | — | — | WO | disclosed |