Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 4/20 | 0.55 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9857595 | 0.83 | MAPT (0.44) | PDPK1LMNAMAPTALDH1A1HSD17B10 | |
| SCHEMBL9857141 | 0.81 | PDPK1 (0.58) | PDPK1CYP2D6SRCLMNAMAPT | |
| SCHEMBL9857925 | 0.81 | APAF1 (0.38) | PDPK1APAF1CYP2D6SRCLMNA | |
| SCHEMBL2625205 | 0.79 | LMNA (0.50) | APAF1CYP2D6SRCLMNAHPGD | |
| SCHEMBL2141566 | 0.78 | PDPK1 (0.78) | PDPK1LMNAMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL8877170 | 0.78 | MME (0.40) | PDPK1LMNAMAPK1KDM4EALDH1A1 | |
| SCHEMBL10441680 | 0.77 | PDPK1 (0.53) | PDPK1CYP2D6SRCLMNAMAPT | |
| SCHEMBL2625208 | 0.77 | FFAR1 (0.51) | TAAR1ALDH1A1CYP3A4HPGD | |
| SCHEMBL28053818 | 0.76 | TRPA1 (0.52) | PDPK1APAF1CYP2D6SRCLMNA | |
| SCHEMBL8877845 | 0.76 | TDP1 (0.41) | PDPK1CYP2D6LMNACXCR2SMN1; SMN2 |
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 |