Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 6/20 | 0.60 |
| ▸ | PPARG | P37231 | 5/20 | 0.60 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.53 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4146552 | 1.00 | PPARA (0.60) | PPARAPPARGCYP4F2CYP4A11SMPD1 | |
| SCHEMBL1789755 | 0.94 | CYP4F2 (0.55) | PPARAPPARGCYP4F2CYP4A11ALOX5 | |
| SCHEMBL12841471 | 0.92 | MAPT (0.56) | PPARAPPARGCYP4F2CYP4A11MAPT | |
| SCHEMBL10807628 | 0.92 | PPARA (0.64) | PPARAPPARGSMPD1ALOX5 | |
| SCHEMBL12442554 | 0.89 | PPARA (0.49) | PPARAPPARGCYP4F2CYP4A11MAPT | |
| SCHEMBL8362151 | 0.86 | THRB (0.62) | PPARAPPARGSMPD1MAPT | |
| SCHEMBL4179938 | 0.85 | PPARA (0.62) | PPARAPPARGSMPD1 | |
| SCHEMBL5273839 | 0.85 | THRB (0.59) | MAPTTDP1 | |
| SCHEMBL5706086 | 0.85 | RARB (0.57) | MAPTTDP1 | |
| SCHEMBL10783756 | 0.85 | RARB (0.57) | MAPTTDP1 |
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-1161411-A2 | BENZYLIC HALOGENATION OF ALKYLBENZOIC ACID ESTERS | ALBEMARLE CORPORATION (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000053564-A2 | BENZYLIC HALOGENATION OF ALKYLBENZOIC ACID ESTERS | ALBEMARLE CORPORATION (US) | 2000-09-14 | — | — | WO | disclosed |
| US-6103926-A | DIRECT PREPARATION OF A (1-HALOALKYL)BENZOIC ACID ESTER FROM AN ALKYLBENZOIC ACID ESTER BY SLOWLY FEEDING HALOGEN CONTINUOUSLY AND/OR INTERMITTENTLY TO AN AGITATED SOLUTION OF SAID ALKYLBENZOIC ACID ESTER IN A LIQUID HALOGEN-CONTAINING | ALBEMARLE CORPORATION (US) | 2000-08-15 | — | — | US | disclosed |