Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6891801 | 1.00 | HCAR2 (0.52) | HCAR2NFE2L2KEAP1CA12CA1 | |
| SCHEMBL21127859 | 0.84 | HCAR2 (0.32) | HCAR2NFE2L2KEAP1ATMMEN1 | |
| SCHEMBL21126446 | 0.80 | ATM (0.48) | HCAR2ALDH1A1HSD17B10MAPTKDM4E | |
| SCHEMBL1871206 | 0.80 | HCAR2 (0.54) | HCAR2CA12CA1CA2CA7 | |
| SCHEMBL1406159 | 0.80 | HCAR2 (0.54) | HCAR2CA12CA1CA2CA7 | |
| SCHEMBL10985141 | 0.77 | HCAR2 (0.57) | HCAR2ALDH1A1MAPTKDM4EAPP | |
| SCHEMBL21126964 | 0.75 | ATM (0.53) | HCAR2ALDH1A1MAPTAPPATM | |
| SCHEMBL11144144 | 0.73 | TSHR (0.40) | HCAR2ALDH1A1TDP1TP53 | |
| SCHEMBL1013020 | 0.73 | — | — | |
| SCHEMBL9308560 | 0.73 | ALDH1A1 (0.32) | ALDH1A1TDP1 |
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-6706911-B1 | REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | disclosed |