Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | F2R | P25116 | 1/20 | 0.39 |
| ▸ | LIG1 | P18858 | 1/20 | 0.39 |
| ▸ | RHOA | P61586 | 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 | |
|---|---|---|---|---|
| SCHEMBL11181389 | 0.89 | CYP3A4 (0.73) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL10385060 | 0.84 | CYP3A4 (0.67) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL9422015 | 0.84 | CYP3A4 (0.67) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL1442911 | 0.84 | CYP3A4 (0.77) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL265052 | 0.82 | TSHR (0.63) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL7563232 | 0.82 | ALDH1A1 (0.72) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL7195441 | 0.79 | CYP3A4 (0.58) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL22231626 | 0.79 | CYP3A4 (0.68) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL16371573 | 0.78 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL29362146 | 0.78 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRHSD17B10MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008035379-A3 | PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS | APTUIT LAURUS PRIVATE LIMITED (IN) | 2010-02-18 | — | — | WO | disclosed |
| WO-2008035379-A2 | PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS | APTUIT LAURUS PRIVATE LIMITED (IN) | 2008-03-27 | — | — | WO | disclosed |