Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.43 |
| ▸ | CXCL8 | P10145 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7827157 | 0.89 | AKR1B1 (0.67) | AKR1B1TDP1PTGS2BCAT2PTGER1 | |
| SCHEMBL76036 | 0.85 | AKR1B1 (0.61) | AKR1B1TDP1PTGS2BCAT2CXCL8 | |
| SCHEMBL8329762 | 0.82 | FOLH1 (0.54) | KDM4ECYP2C9HPGD | |
| Biphenyl SCHEMBL11146899 | 0.82 | AKR1B1 (0.57) | AKR1B1TDP1PTGS2BCAT2PTGER1 | |
| SCHEMBL175541 | 0.80 | PTGS1 (0.50) | AKR1B1TDP1PTGS2PTGER1PTGER4 | |
| SCHEMBL11363825 | 0.80 | AKR1B1 (0.73) | AKR1B1TDP1PTGS2BCAT2PTGER1 | |
| SCHEMBL2925422 | 0.80 | AKR1B1 (0.55) | AKR1B1TDP1PTGS2BCAT2PTGER1 | |
| SCHEMBL1919746 | 0.80 | DPP4 (0.55) | AKR1B1TDP1PTGS2BCAT2PTGER1 | |
| SCHEMBL1309790 | 0.80 | ALDH1A1 (0.43) | TDP1KDM4ECYP1A2MAPTTRPA1 | |
| SCHEMBL538512 | 0.79 | KMT2A (0.60) | AKR1B1TDP1PTGS2PTGER1PTGER4 |
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-0594573-A1 | PREPARATION OF PROPENOIC ACID DERIVATIVES | AgrEvo UK Limited (GB) | 1994-05-04 | — | — | EP | disclosed |
| US-5264609-A | Etherification and hydrolysis | SCHERING AGROCHEMICALS LIMITED (GB) | 1993-11-23 | — | — | US | disclosed |
| WO-1991007385-A1 | PREPARATION OF PROPENOIC ACID DERIVATIVES | SCHERING AGROCHEMICALS LIMITED (GB) | 1991-05-30 | — | — | WO | disclosed |