Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.49 |
| ▸ | NAAA | Q02083 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL9561874 | 1.00 | EPHX1 (0.49) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL9561873 | 1.00 | EPHX1 (0.49) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL9561777 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL9561774 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL27165468 | 0.86 | NAAA (0.46) | EPHX1NAAAHTTCYP2C19ALDH1A1 | |
| SCHEMBL4775293 | 0.83 | MEN1 (0.34) | EPHX1NAAA | |
| SCHEMBL4775297 | 0.83 | MEN1 (0.34) | EPHX1NAAA | |
| SCHEMBL15611523 | 0.83 | NAAA (0.51) | EPHX1NAAAHTTALDH1A1 | |
| Ethane SCHEMBL28092403 | 0.82 | EPHX1 (0.47) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL8101682 | 0.82 | EPHX1 (0.48) | 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-5003102-A | Hydroformylation of Pentenoates, Recycling | BASF AKTIENSELLSCHAFT (DE) | 1991-03-26 | — | — | US | disclosed |
| US-4845269-A | Preparation of 3-pentenoates from 2-pentenoates | BASF AKTIENGESELLSCHAFT (DE) | 1989-07-04 | — | — | US | disclosed |