Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR2 | P50052 | 5/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 3/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1260139 | 0.90 | KAT2B (0.34) | KAT2BBTKLCKSRCKDM4E | |
| SCHEMBL8022909 | 0.81 | P2RX3 (0.41) | CNR2 | |
| SCHEMBL15000198 | 0.80 | KAT2B (0.32) | KAT2BBTKLCKSRCKDM4E | |
| SCHEMBL15000289 | 0.78 | — | — | |
| SCHEMBL4246824 | 0.76 | ALDH1A1 (0.44) | KDM4EALDH1A1HPGDCYP1A2MEN1 | |
| SCHEMBL1260138 | 0.75 | PIM1 (0.39) | KAT2BKDM4EHSD17B10ALDH1A1POLB | |
| SCHEMBL15000098 | 0.72 | AGTR2 (0.35) | AGTR2 | |
| SCHEMBL1260137 | 0.72 | CNR2 (0.32) | KDM4EHSD17B10CNR2 | |
| SCHEMBL15093160 | 0.69 | SMN1; SMN2 (0.40) | KDM4EHSD17B10ALDH1A1CYP1A2MEN1 | |
| SCHEMBL17099258 | 0.69 | AGTR2 (0.39) | AGTR2KDM4EALDH1A1MEN1KMT2A |
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-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 |