Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PPOX | P50336 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.32 |
| ▸ | WEE1 | P30291 | 2/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL11426926 | 0.76 | PARP1 (0.42) | PARP1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL1860679 | 0.76 | PARP1 (0.40) | PARP1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL2156113 | 0.70 | KDM4E (0.47) | PARP1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL26259669 | 0.67 | ALDH1A1 (0.34) | KDM4EALDH1A1GAAHPGDGLA | |
| SCHEMBL29212758 | 0.66 | PARP1 (0.42) | PARP1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL30884125 | 0.66 | PARP1 (0.42) | PARP1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL13606488 | 0.66 | PARP1 (0.35) | PARP1KDM4EMEN1KMT2APPOX | |
| Bicarbonate SCHEMBL23581765 | 0.66 | KDM4E (0.50) | PARP1KDM4EALDH1A1GAAHPGD | |
| SCHEMBL9632335 | 0.65 | PARP1 (0.41) | PARP1PPOXWEE1GSK3BCHEK1 | |
| SCHEMBL21451350 | 0.64 | CA2 (0.48) | KDM4EALDH1A1GAAHPGDGLA |
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 |
|---|---|---|---|---|---|---|---|
| US-6191307-B1 | Process for making benzoic acids | ALBEMARLE CORPORATION | 2001-02-20 | — | — | US | disclosed |