Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ASPH | Q12797 | 1/20 | 0.36 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12756987 | 0.82 | TDP1 (0.49) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL16087637 | 0.79 | CES2 (0.42) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL28280476 | 0.79 | CES2 (0.42) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL16011945 | 0.78 | CA12 (0.42) | CES2CES1ALDH1A1ALOX15TDP1 | |
| SCHEMBL20516076 | 0.78 | CES2 (0.41) | CES2CES1TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL30450627 | 0.78 | CA12 (0.42) | CES2CES1ALDH1A1ALOX15TDP1 | |
| SCHEMBL28929372 | 0.77 | CES2 (0.44) | CES2CES1BCHETSHRMAPT | |
| SCHEMBL241797 | 0.76 | CES2 (0.70) | CES2CES1MAP2K1MAP2K2CYP1A2 | |
| SCHEMBL28603127 | 0.76 | KEAP1 (0.48) | CES2CES1ALBKEAP1NFE2L2 | |
| SCHEMBL7610336 | 0.76 | ALB (0.57) | CES2CES1ALBBCHEKDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4462991-A | POLYPEPTIDE ADJUVANTS OF CARBOXY- OR SULFOSUBSTITUTED PHENOLS | INTERX RESEARCH CORP. (US) | 1984-07-31 | — | — | US | claimed |
| US-4459295-A | Method of increasing oral absorption of glycosidic and related antibiotics | INTERX RESEARCH CORPORATION (US) | 1984-07-10 | — | — | US | claimed |
| EP-1198451-A2 | SUBSTITUTED PHENOXYACETIC ACIDS | The Institutes for Pharmaceutical Discovery, LLC (US) | 2002-04-24 | — | — | EP | disclosed |
| WO-2001000566-A2 | SUBSTITUTED PHENOXYACETIC ACIDS | THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) | 2001-01-04 | — | — | WO | disclosed |
| US-4462991-A | POLYPEPTIDE ADJUVANTS OF CARBOXY- OR SULFOSUBSTITUTED PHENOLS | INTERX RESEARCH CORP. (US) | 1984-07-31 | — | — | US | disclosed |
| US-4459295-A | Method of increasing oral absorption of glycosidic and related antibiotics | INTERX RESEARCH CORPORATION (US) | 1984-07-10 | — | — | US | disclosed |