Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | CXCL8 | P10145 | 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 | |
|---|---|---|---|---|
| SCHEMBL6069972 | 0.82 | TSHR (0.53) | PTGS1PTGS2AKR1C3CYP2C9LMNA | |
| SCHEMBL11621015 | 0.81 | SRC (0.54) | CA2CA1PTGS1PTGS2AKR1C3 | |
| SCHEMBL6224603 | 0.78 | PTGS2 (0.67) | PTGS1PTGS2AKR1C3CYP2C9LMNA | |
| SCHEMBL3792369 | 0.78 | PTGS2 (0.67) | PTGS1PTGS2AKR1C3CYP2C9LMNA | |
| SCHEMBL1345506 | 0.78 | PTGS2 (0.67) | PTGS1PTGS2AKR1C3CYP2C9LMNA | |
| SCHEMBL5283386 | 0.78 | HSD17B10 (0.47) | CA2CA1PTGS1PTGS2AKR1C3 | |
| SCHEMBL3739027 | 0.76 | SRC (0.50) | CA2CA1PTGS1CYP2C9LMNA | |
| SCHEMBL2454097 | 0.76 | CYP2C9 (0.47) | CYP2C9LMNANFKB1TSHRBLM | |
| SCHEMBL5325296 | 0.75 | SRC (0.56) | PTGS1PTGS2LMNACXCR1CXCR2 | |
| SCHEMBL664900 | 0.75 | SRC (0.56) | PTGS1PTGS2LMNACXCR1CXCR2 |
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-1072580-B1 | PROCESS FOR PRODUCING CHLOROMETHYLPHENYLACETIC ACID | IHARA CHEMICAL IND CO (JP) | 2010-12-01 | — | — | EP | disclosed |
| US-6414186-B1 | REACTING METHYLPHENYLACETIC ACID WITH CHLORINE GAS, IN INERT SOLVENT, UNDER IRRADIATION WITH LIGHT OR IN PRESENCE OF RADICAL INITIATOR | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2002-07-02 | — | — | US | disclosed |
| EP-1072580-A1 | PROCESS FOR PRODUCING CHLOROMETHYLPHENYLACETIC ACID | Ihara Nikkei Chemical Industry Co., Ltd. (JP) | 2001-01-31 | — | — | EP | disclosed |