Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 9/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5571178 | 0.89 | GABRP (0.38) | CYP1A2FOLH1GABRPGABRDGABRA1 | |
| SCHEMBL335124 | 0.85 | CHRM1 (0.41) | MAPTGRIK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL11599817 | 0.82 | MAPT (0.37) | CYP1A2MAPT | |
| SCHEMBL334795 | 0.82 | MAPT (0.44) | MAPTSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL15347601 | 0.81 | GABRP (0.41) | CYP1A2FOLH1GABRPGABRDGABRA1 | |
| SCHEMBL6910766 | 0.81 | CA2 (0.47) | MAPTSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL15153946 | 0.81 | TET2 (0.47) | CYP1A2FOLH1GABRPGABRDGABRA1 | |
| SCHEMBL2203259 | 0.81 | MAPT (0.36) | MAPT | |
| SCHEMBL3101118 | 0.80 | GABRP (0.39) | CYP1A2FOLH1GABRPGABRDGABRA1 | |
| SCHEMBL4379768 | 0.80 | GABRP (0.48) | CYP1A2GABRPGABRDGABRA1GABRB1 |
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-1305407-A2 | PREPARATION OF DICARBOXYLIC ACID MONOESTERS FROM CYANOCARBOXYLIC ACID ESTERS | E. I. du Pont de Nemours and Company (US) | 2003-05-02 | — | — | EP | disclosed |
| US-6455730-B1 | CONTACTING CYANOPROPANOIC ACID METHYL ESTER WITH NITRILASE ISOLATED FROM ACIDOVORAX TO FORM BUTANEDIOIC ACID MONOMETHYL ESTER WITH NO PRODUCTION OF CYANOPROPIONIC ACID OR BUTANEDIOIC ACID | E. I. DU PONT DE NEMOURS & COMPANY | 2002-09-24 | — | — | US | disclosed |
| WO-2002012527-A2 | PREPARATION OF DICARBOXYLIC ACID MONOESTERS FROM CYANOCARBOXYLIC ACID ESTERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2002-02-14 | — | — | WO | disclosed |