Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22367794 | 0.83 | EPHX1 (0.41) | EPHX1CYP19A1TSHRCA12CA1 | |
| SCHEMBL22733772 | 0.81 | EPHX1 (0.40) | EPHX1CYP19A1CA12CA1CA2 | |
| SCHEMBL16731836 | 0.80 | EPHX1 (0.44) | EPHX1CYP19A1TSHRCA12CA1 | |
| Cilexetil SCHEMBL3483374 | 0.80 | EPHX1 (0.44) | EPHX1CYP19A1TSHRCA12CA1 | |
| SCHEMBL7106072 | 0.79 | EPHX1 (0.39) | EPHX1CYP19A1CA12CA1CA2 | |
| SCHEMBL29525024 | 0.79 | EPHX1 (0.37) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL3483069 | 0.78 | EPHX1 (0.41) | EPHX1CYP19A1TSHRCA12CA1 | |
| SCHEMBL1078204 | 0.77 | EPHX1 (0.46) | EPHX1CYP19A1TSHRCA12CA1 | |
| SCHEMBL11504811 | 0.75 | EPHX1 (0.45) | EPHX1CYP19A1CA12CA1CA2 | |
| SCHEMBL146168 | 0.75 | EPHX1 (0.45) | EPHX1CYP19A1CA12CA1CA2 |
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-2005100369-A1 | DEPLETION OF E-ISOMERS IN PREPARATION OF Z-ENRICHED 3-(2-SUBSTITUTED VINYL) CEPHALOSPORINS | RANBAXY LABORATORIES LIMITED (IN) | 2005-10-27 | — | — | WO | claimed |
| WO-2005100369-A1 | DEPLETION OF E-ISOMERS IN PREPARATION OF Z-ENRICHED 3-(2-SUBSTITUTED VINYL) CEPHALOSPORINS | RANBAXY LABORATORIES LIMITED (IN) | 2005-10-27 | — | — | WO | disclosed |