Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.81 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | CA12 | O43570 | 4/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA4 | P22748 | 3/20 | 0.58 |
| ▸ | CA5A | P35218 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3418508 | 0.90 | EPHX1 (1.00) | EPHX1EPHX2TSHRCA12CA2 | |
| SCHEMBL5879548 | 0.90 | CYP1A2 (0.76) | EPHX1EPHX2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8131627 | 0.84 | EPHX1 (0.81) | EPHX1EPHX2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6032606 | 0.83 | EPHX1 (0.85) | EPHX1EPHX2TSHRCA12CA2 | |
| SCHEMBL4888513 | 0.82 | CA2 (0.82) | EPHX1CA12CA2CA9CA1 | |
| SCHEMBL3162641 | 0.82 | EPHX1 (0.71) | EPHX1EPHX2TSHRCA12CA2 | |
| SCHEMBL4680083 | 0.82 | EPHX1 (0.71) | EPHX1EPHX2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16562237 | 0.81 | EPHX1 (0.74) | EPHX1EPHX2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17117339 | 0.80 | EPHX2 (1.00) | EPHX1EPHX2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15939579 | 0.80 | EPHX1 (0.69) | EPHX1EPHX2CA12CA2CA9 |
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-2343069-B1 | Heterocyclic aspartyl protease inhibitors | MERCK SHARP & DOHME (US) | 2016-03-02 | — | — | EP | disclosed |
| EP-1699455-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2013-05-08 | — | — | EP | disclosed |