Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 2/20 | 0.37 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14923304 | 0.92 | KDM5A (0.44) | EPHX1HPGDCA12CA1CA2 | |
| SCHEMBL14923312 | 0.88 | HPGD (0.35) | EPHX1HPGDCA12CA1CA2 | |
| SCHEMBL17551587 | 0.87 | HPGD (0.34) | EPHX1HPGDCA12CA1CA2 | |
| SCHEMBL17715619 | 0.87 | CTSD (0.38) | EPHX1HPGDCA12CA1CA2 | |
| SCHEMBL14923302 | 0.86 | HPGD (0.39) | EPHX1HPGDKMT2AMEN1NPC1 | |
| SCHEMBL14923346 | 0.86 | HPGD (0.39) | EPHX1HPGDKMT2AMEN1NPC1 | |
| SCHEMBL14923297 | 0.86 | KMT2A (0.35) | EPHX1HPGDKMT2AMEN1NPC1 | |
| SCHEMBL13722304 | 0.86 | KDM5A (0.41) | EPHX1HPGDKMT2AMEN1NPC1 | |
| SCHEMBL14923322 | 0.83 | KMT2A (0.40) | EPHX1HPGDCYP2D6KMT2AMEN1 | |
| SCHEMBL14923325 | 0.83 | HPGD (0.36) | EPHX1HPGDKMT2AMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |