Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 1/20 | 0.53 |
| ▸ | TLR2 | O60603 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | EPOR | P19235 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27900292 | 0.81 | TLR4 (0.64) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL4553033 | 0.81 | TLR4 (0.54) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL11482497 | 0.79 | MAOB (0.61) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL1218847 | 0.79 | TLR4 (0.53) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL11245091 | 0.79 | TLR4 (0.53) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL3276887 | 0.79 | TLR4 (0.53) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL34465491 | 0.79 | TLR4 (0.53) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL11124615 | 0.79 | TLR4 (0.53) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL11095883 | 0.79 | TLR4 (0.53) | TLR4TLR2LTA4HTSHRMAOB | |
| SCHEMBL98478 | 0.79 | MAOB (0.61) | TLR4TLR2LTA4HTSHRMAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4360478-A | Preparation of α-cyanobenzyl esters | SHELL OIL COMPANY (US) | 1982-11-23 | — | — | US | disclosed |
| US-4315868-A | Process for the preparation of α-cyanobenzyl esters | ROUSSEL UCLAF (FR) | 1982-02-16 | — | — | US | disclosed |
| EP-0001944-B1 | ESTERS OF ALPHA-HALOGENATED ALCOHOLS, METHOD OF PREPARATION AND APPLICATION TO THE SYNTHESIS OF ESTERS OF ALPHA-CYANO SUBSTITUTED ALCOHOLS | ROUSSEL-UCLAF (FR) | 1981-11-25 | — | — | EP | disclosed |
| US-4277617-A | Process for the preparation of esters | ROUSSEL UCLAF (FR) | 1981-07-07 | — | — | US | disclosed |