Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7521313 | 0.92 | HPGD (0.61) | HPGDGAACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8178243 | 0.90 | HPGD (0.60) | HPGDGAACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13557901 | 0.88 | HPGD (0.59) | HPGDGAACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7523294 | 0.82 | HPGD (0.63) | HPGDGAACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8412208 | 0.77 | HPGD (0.59) | HPGDGAACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL13723048 | 0.76 | HPGD (0.42) | HPGDMEN1KMT2ATSHRKDM4E | |
| SCHEMBL14923269 | 0.74 | HPGD (0.68) | HPGDGAACYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7520450 | 0.72 | KMT2A (0.44) | HPGDGAACYP3A4CYP2C19MEN1 | |
| SCHEMBL7519256 | 0.70 | SMN1; SMN2 (0.54) | HPGDKMT2ATSHRKDM4EHTT | |
| SCHEMBL7522362 | 0.69 | GBA1 (0.44) | CYP3A4CYP2D6CYP2C19POLBKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2153832-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-09 | — | — | EP | disclosed |
| EP-2153832-A2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2010-02-17 | — | — | EP | disclosed |