Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | TSHR | P16473 | 6/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3075 | 1.00 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL29903166 | 1.00 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10684163 | 1.00 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL14953945 | 0.97 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Naphthalene SCHEMBL3447588 | 0.97 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL6705962 | 0.97 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL7539708 | 0.97 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL21796071 | 0.97 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| O-Xylene SCHEMBL7050723 | 0.97 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Fluoride SCHEMBL9159854 | 0.97 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1007518-A4 | SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE | SEPRACOR INC (US) | 2002-11-06 | — | — | EP | claimed |
| US-6177572-B1 | 2-AMIDOPHENOL OR 2-AMIDOTHIOPHENOL IS COUPLED TO A SOLID PHASE SUPPORT THROUGH A LINKER GROUP, SUCH THAT A BENZOXAZOLE OR A BENZOTHIAZOLE IS FORMED | SEPRACOR, INC. | 2001-01-23 | — | — | US | claimed |
| EP-1007518-A1 | SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE | SEPRACOR, INC. (US) | 2000-06-14 | — | — | EP | claimed |
| WO-1999009017-A1 | SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE | SEPRACOR INC. (US) | 1999-02-25 | — | — | WO | claimed |
| EP-1007518-A4 | SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE | SEPRACOR INC (US) | 2002-11-06 | — | — | EP | disclosed |
| US-6177572-B1 | 2-AMIDOPHENOL OR 2-AMIDOTHIOPHENOL IS COUPLED TO A SOLID PHASE SUPPORT THROUGH A LINKER GROUP, SUCH THAT A BENZOXAZOLE OR A BENZOTHIAZOLE IS FORMED | SEPRACOR, INC. | 2001-01-23 | — | — | US | disclosed |
| EP-1007518-A1 | SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE | SEPRACOR, INC. (US) | 2000-06-14 | — | — | EP | disclosed |
| WO-1999009017-A1 | SOLID AND LIQUID-PHASE SYNTHESIS OF BENZOXAZOLES AND BENZOTHIAZOLES AND THEIR USE | SEPRACOR INC. (US) | 1999-02-25 | — | — | WO | disclosed |