Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | WDR5 | P61964 | 1/20 | 0.45 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1921439 | 0.86 | ALDH1A1 (0.46) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL6350288 | 0.79 | CYP2A6 (0.55) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL1896889 | 0.76 | CYP2A6 (0.92) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL2321409 | 0.74 | ALDH1A1 (0.86) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL29358486 | 0.73 | CYP2A6 (1.00) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL30932938 | 0.73 | CYP2A6 (1.00) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL8873977 | 0.73 | CYP2A6 (1.00) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL7643 | 0.73 | CYP2A6 (1.00) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL29477074 | 0.73 | CYP2A6 (1.00) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 | |
| Phenanthrene SCHEMBL1330750 | 0.73 | CYP2A6 (1.00) | CYP2A6ALDH1A1HSD17B10TSHRTDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000050365-A1 | ASYMMETRIC CYCLOADDITION REACTIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-08-31 | — | — | WO | disclosed |
| WO-1999036375-A1 | ASYMMETRIC CYCLOADDITION REACTIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1999-07-22 | — | — | WO | disclosed |
| EP-0643626-A4 | CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL. | RES CORP TECHNOLOGIES INC (US) | 1995-12-06 | — | — | EP | disclosed |
| EP-0643626-A1 | CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1995-03-22 | — | — | EP | disclosed |
| EP-0521099-A4 | CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY | — | 1993-10-20 | — | — | EP | disclosed |
| EP-0521099-A1 | CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1993-01-07 | — | — | EP | disclosed |
| WO-1991014694-A1 | CHIRAL CATALYSTS AND EPOXIDATION REACTIONS CATALYZED THEREBY | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1991-10-03 | — | — | WO | disclosed |