Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1260182 | 0.89 | TDP1 (0.44) | ALDH1A1KMT2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL15093160 | 0.88 | SMN1; SMN2 (0.40) | ALDH1A1KMT2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL8012771 | 0.81 | P2RX3 (0.45) | ALDH1A1KMT2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL1073524 | 0.80 | RXFP1 (0.44) | ALDH1A1KMT2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL15093179 | 0.78 | P2RX3 (0.41) | ALDH1A1KMT2AMEN1HPGDMAPT | |
| SCHEMBL12709919 | 0.77 | GAA (0.42) | ALDH1A1KMT2AMEN1CYP1A2CYP2C9 | |
| SCHEMBL15000107 | 0.77 | RXFP1 (0.38) | ALDH1A1KMT2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL15000098 | 0.76 | AGTR2 (0.35) | — | |
| SCHEMBL14999963 | 0.76 | AGTR2 (0.33) | ALDH1A1KMT2AMEN1CYP1A2CYP3A4 | |
| SCHEMBL1260179 | 0.75 | MEN1 (0.43) | ALDH1A1KMT2AMEN1CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271345-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-05-20 | — | — | EP | disclosed |
| US-8461107-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-06-11 | — | — | US | disclosed |
| WO-2009134624-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2009-11-05 | — | — | WO | disclosed |