Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 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 | |
|---|---|---|---|---|
| SCHEMBL8305705 | 0.81 | EPHX1 (0.45) | EPHX1CYP2C19PKMCNR2ALDH1A1 | |
| SCHEMBL8302373 | 0.81 | HPGD (0.48) | EPHX1CYP2C19 | |
| SCHEMBL3791285 | 0.76 | TAAR1 (0.47) | EPHX1SIGMAR1ALPIPKMPTGS1 | |
| SCHEMBL14921198 | 0.76 | MME (0.47) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL12433531 | 0.76 | EPHX1 (0.46) | EPHX1ALPIPKMPTGS1XIAP | |
| Hydrochloric Acid SCHEMBL2035354 | 0.75 | OPRM1 (0.46) | EPHX1SIGMAR1ALPIPKMPTGS1 | |
| SCHEMBL3790429 | 0.74 | SIGMAR1 (0.50) | EPHX1SIGMAR1ALPIPKMPTGS1 | |
| Hydrochloric Acid SCHEMBL3049777 | 0.73 | SIGMAR1 (0.49) | EPHX1SIGMAR1 | |
| SCHEMBL5801572 | 0.73 | EPHX1 (0.58) | EPHX1CYP2C19ALPIPKMPTGS1 | |
| SCHEMBL28148321 | 0.72 | TRPA1 (0.61) | EPHX1ALPIPKMPTGS1XIAP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004085661-A2 | PROCESS TO CHIRAL BETA-AMINO ACID DERIVATIVES | MERCK & CO., INC (US) | 2004-10-07 | — | — | WO | disclosed |