Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.46 |
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9561777 | 1.00 | EPHX1 (0.46) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL9561874 | 0.98 | EPHX1 (0.49) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL9561873 | 0.98 | EPHX1 (0.49) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL9862944 | 0.98 | EPHX1 (0.49) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL4775293 | 0.85 | MEN1 (0.34) | EPHX1NAAA | |
| SCHEMBL4775297 | 0.85 | MEN1 (0.34) | EPHX1NAAA | |
| SCHEMBL27165468 | 0.84 | NAAA (0.46) | EPHX1NAAAHTTCYP2C19ALDH1A1 | |
| SCHEMBL15611523 | 0.81 | NAAA (0.51) | EPHX1NAAAHTTALDH1A1 | |
| SCHEMBL2513804 | 0.81 | EPHX1 (0.45) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL1656196 | 0.81 | EPHX1 (0.45) | EPHX1NAAAHTTCYP2C19CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5189182-A | Catalytic cyclization | BASF AKTIENGESELLSCHAFT (DE) | 1993-02-23 | — | — | US | disclosed |
| EP-0306875-A2 | Process for the preparation of 5-methyl butyrolactone | BASF Aktiengesellschaft (DE) | 1989-03-15 | — | — | EP | disclosed |