Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | XPO1 | O14980 | 3/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL691226 | 0.83 | HCAR2 (0.60) | HCAR2CA12AKR1B10CA1CA2 | |
| SCHEMBL691227 | 0.83 | HCAR2 (0.60) | HCAR2CA12AKR1B10CA1CA2 | |
| SCHEMBL16522486 | 0.83 | HCAR2 (0.60) | HCAR2CA12AKR1B10CA1CA2 | |
| SCHEMBL177747 | 0.82 | HCAR2 (0.80) | HCAR2CA12AKR1B10CA1CA2 | |
| SCHEMBL177748 | 0.82 | HCAR2 (0.80) | HCAR2CA12AKR1B10CA1CA2 | |
| SCHEMBL178194 | 0.82 | HCAR2 (0.80) | HCAR2CA12AKR1B10CA1CA2 | |
| SCHEMBL27659116 | 0.79 | HCAR2 (0.76) | HCAR2CA12AKR1B10CA1CA2 | |
| SCHEMBL28488031 | 0.79 | HCAR2 (0.56) | HCAR2CA12AKR1B10CA1CA2 | |
| SCHEMBL2801375 | 0.78 | — | — | |
| SCHEMBL12535713 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0394844-B1 | PROCESS FOR THE PREPARATION OF 4-KETOCARBOXYLIC ACIDS AND THEIR ESTERS | BASF Aktiengesellschaft (DE) | 1993-08-04 | — | — | EP | disclosed |
| EP-0394844-A1 | Process for the preparation of 4-ketocarboxylic acids and their esters | BASF Aktiengesellschaft (DE) | 1990-10-31 | — | — | EP | disclosed |