Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928918 | 0.98 | CYP2C19 (0.39) | ALDH1A1CYP2C19CYP3A4POLBMEN1 | |
| SCHEMBL4152272 | 0.93 | CYP2C19 (0.42) | ALDH1A1CYP2C19CYP3A4POLBMEN1 | |
| SCHEMBL30153499 | 0.81 | NPSR1 (0.39) | ALDH1A1CYP2C19CYP3A4MEN1KMT2A | |
| SCHEMBL9583269 | 0.81 | NPSR1 (0.39) | ALDH1A1CYP2C19CYP3A4MEN1KMT2A | |
| SCHEMBL19841985 | 0.81 | OPRM1 (0.46) | CYP2C19CYP3A4OPRM1 | |
| SCHEMBL7722193 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CYP2C19CYP3A4POLBMEN1 | |
| SCHEMBL16925425 | 0.78 | OPRM1 (0.47) | ALDH1A1CYP2C19CYP3A4POLBMEN1 | |
| SCHEMBL1577155 | 0.78 | ATM (0.45) | ALDH1A1CYP2C19CYP3A4POLBMEN1 | |
| SCHEMBL19842011 | 0.78 | OPRM1 (0.40) | MEN1KMT2AOPRM1 | |
| SCHEMBL19841974 | 0.78 | OPRM1 (0.38) | ALDH1A1POLBMEN1KMT2AOPRM1 |
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-2012057624-A1 | NOVEL BICYCLIC PEPTIDE MIMETICS | PEPSCAN SYSTEMS B.V. (NL) | 2012-05-03 | — | — | WO | disclosed |