Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CUL4A | Q13619 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | GLA | P06280 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10591655 | 0.81 | ALDH1A1 (0.43) | ADORA1PDE10AADORA2AALDH1A1KDM4E | |
| SCHEMBL27425531 | 0.77 | GAA (0.45) | ADORA1PDE10AADORA2AALDH1A1KDM4E | |
| SCHEMBL1179562 | 0.75 | KDM4E (0.44) | ADORA1ADORA2BADORA2AALDH1A1KDM4E | |
| SCHEMBL1180449 | 0.75 | KDM4E (0.34) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL10591516 | 0.74 | KIF11 (0.45) | ADORA1PDE10AALDH1A1KDM4EGAA | |
| SCHEMBL13858869 | 0.72 | ALDH1A1 (0.46) | PDE10AALDH1A1KDM4EGLAGAA | |
| SCHEMBL116957 | 0.72 | ALDH1A1 (0.46) | PDE10AALDH1A1KDM4EGLAGAA | |
| SCHEMBL21529737 | 0.72 | POLB (0.47) | ADORA1ADORA2BADORA2AALDH1A1KDM4E | |
| SCHEMBL8123415 | 0.71 | — | — | |
| SCHEMBL1179642 | 0.71 | KDM4E (0.33) | ALDH1A1KDM4EGLAGAAHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1111354-C | Azole compounds is as the purposes of antifouling composition | AMERICAN CYANAMID CO (US) | 2003-06-18 | — | — | CN | claimed |
| CN-1145170-A | Use of pyrrole compounds as antifouling agents | AMERICAN CYANAMID CO (US) | 1997-03-19 | — | — | CN | claimed |
| CN-101400256-A | Biocidal composition comprising 2-mercaptopyridine-N-oxide and a pyrrole derivative | ARCH CHEM INC (US) | 2009-04-01 | — | — | CN | disclosed |
| CN-1111354-C | Azole compounds is as the purposes of antifouling composition | AMERICAN CYANAMID CO (US) | 2003-06-18 | — | — | CN | disclosed |
| CN-1145170-A | Use of pyrrole compounds as antifouling agents | AMERICAN CYANAMID CO (US) | 1997-03-19 | — | — | CN | disclosed |