Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.35 |
| ▸ | PPARG | P37231 | 7/20 | 0.35 |
| ▸ | PPARD | Q03181 | 7/20 | 0.35 |
| ▸ | PPARA | Q07869 | 7/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.35 |
| ▸ | TLR2 | O60603 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FABP4 | P15090 | 2/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11117981 | 1.00 | CES1 (0.39) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL11115383 | 0.86 | AKR1B1 (0.40) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL11115380 | 0.86 | AKR1B1 (0.40) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL11120068 | 0.82 | CES1 (0.41) | CES1CES2ALDH1A1AKR1B1TP53 | |
| SCHEMBL11035705 | 0.81 | GPR84 (0.47) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL11035712 | 0.81 | GPR84 (0.47) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL11120729 | 0.79 | KMT2A (0.36) | ALDH1A1KMT2A | |
| SCHEMBL11120731 | 0.79 | KMT2A (0.36) | ALDH1A1KMT2A | |
| SCHEMBL8661149 | 0.76 | AKR1B1 (0.46) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL8661144 | 0.76 | AKR1B1 (0.46) | CES1CES2ALDH1A1AKR1B1GPR84 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0052819-B1 | PROCESS FOR PREPARING AMIDINECARBOXYLIC ACIDS | UBE INDUSTRIES, LTD. (JP) | 1984-02-29 | — | — | EP | claimed |