Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | ACMSD | Q8TDX5 | 4/20 | 0.47 |
| ▸ | HNF4A | P41235 | 2/20 | 0.47 |
| ▸ | DHODH | Q02127 | 4/20 | 0.47 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.44 |
| ▸ | BAD | Q92934 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857473 | 0.83 | DHODH (0.48) | PTPN1DHODHBCL2L1BADDHFR | |
| SCHEMBL9857871 | 0.81 | DHODH (0.50) | PTPN1DHODHBCL2L1BADAKR1C2 | |
| SCHEMBL9857543 | 0.80 | HMGCR (0.44) | PTPN1DHODHBCL2L1BADAKR1C2 | |
| SCHEMBL9857846 | 0.80 | BCL2L1 (0.46) | PTPN1DHODHBCL2L1BADAKR1C2 | |
| SCHEMBL31457344 | 0.79 | PTPN1 (0.60) | PTPN1ACMSDHNF4ADHODHAKR1C2 | |
| SCHEMBL6504053 | 0.79 | ACMSD (0.59) | PTPN1ACMSDHNF4ADHODHAKR1C2 | |
| SCHEMBL22068538 | 0.76 | ALOX5 (0.53) | PTPN1ACMSDHNF4ABCL2L1DHFR | |
| SCHEMBL9857579 | 0.76 | BCL2L1 (0.57) | PTPN1ACMSDHNF4ADHODHBCL2L1 | |
| SCHEMBL9857587 | 0.76 | PTGER1 (0.51) | PTPN1DHODHMCL1MAP4K4 | |
| SCHEMBL9857813 | 0.74 | DHODH (0.37) | PTPN1DHODHBCL2L1BADMEN1 |
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 |