Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1839093 | 0.91 | SMN1; SMN2 (0.48) | SMN1; SMN2HRH3EPHX1EPHX2HSD11B1 | |
| Hydrochloric Acid SCHEMBL27665016 | 0.89 | SMN1; SMN2 (0.47) | SMN1; SMN2HRH3EPHX1EPHX2HSD11B1 | |
| SCHEMBL69424 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27859607 | 0.84 | SMN1; SMN2 (0.50) | SMN1; SMN2HRH3SPHK1MAPTMEN1 | |
| SCHEMBL24661180 | 0.78 | SMN1; SMN2 (0.45) | SMN1; SMN2SPHK1MAPTALDH1A1CYP2D6 | |
| SCHEMBL4099948 | 0.78 | — | — | |
| SCHEMBL4550289 | 0.78 | SMN1; SMN2 (0.45) | SMN1; SMN2SPHK1MAPTALDH1A1CYP2D6 | |
| SCHEMBL24661186 | 0.78 | SMN1; SMN2 (0.45) | SMN1; SMN2SPHK1MAPTALDH1A1CYP2D6 | |
| SCHEMBL21450609 | 0.78 | SMN1; SMN2 (0.45) | SMN1; SMN2HRH3SPHK1MAPTMEN1 | |
| SCHEMBL17311068 | 0.78 | — | — |
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-2780026-A2 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |