Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 2/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 6/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | MPL | P40238 | 1/20 | 0.38 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857916 | 0.87 | AKR1C2 (0.39) | AKR1C2AKR1C1PTGS2DHODHPTGS1 | |
| SCHEMBL9857473 | 0.87 | DHODH (0.48) | DHODHPTGS1PTPN1DHFRALKBH5 | |
| SCHEMBL17459516 | 0.86 | PTPN1 (0.51) | DHODHPTGS1PTPN1ALDH1A1HSD17B10 | |
| SCHEMBL9776295 | 0.85 | PTGS2 (0.43) | AKR1C2PTGS2PTGS1AKR1C3MPL | |
| SCHEMBL10729814 | 0.79 | MCL1 (0.49) | MCL1ALDH1A1HSD17B10 | |
| SCHEMBL2882724 | 0.79 | KDM4E (0.47) | AKR1C2AKR1C1DHODHPTGS1PTPN1 | |
| SCHEMBL17459505 | 0.78 | GFER (0.54) | DHODHMCL1ALDH1A1 | |
| SCHEMBL5762155 | 0.77 | ACHE (0.48) | PTGS2PTGS1SRCALDH1A1 | |
| SCHEMBL9857687 | 0.77 | PTGS2 (0.41) | AKR1C2AKR1C1PTGS2DHODHPTGS1 | |
| SCHEMBL9857802 | 0.77 | PTGS2 (0.44) | PTGS2PTGS1SRCKAT6A |
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 |
|---|---|---|---|---|---|---|---|
| US-5072023-A | Reacting lactone with ester anion to form cyclohexenone ester; oxidizing or dehydrogenating the intermediate | E. R. SQUIBB & SONS, INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0442495-A1 | Process for preparing highly substituted phenyls | E.R. SQUIBB & SONS, INC. (US) | 1991-08-21 | — | — | EP | disclosed |