Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14734518 | 1.00 | P2RX3 (0.37) | P2RX3POLBKDRHRH3MTNR1A | |
| SCHEMBL13395390 | 0.84 | P2RX3 (0.38) | P2RX3POLBKDRHRH3MTNR1A | |
| Hydrochloric Acid SCHEMBL17099304 | 0.84 | P2RX3 (0.38) | P2RX3POLBKDRHRH3MTNR1A | |
| SCHEMBL14730272 | 0.83 | P2RX3 (0.34) | P2RX3POLBKDRHRH3NPC1 | |
| SCHEMBL19072874 | 0.83 | P2RX3 (0.34) | P2RX3POLBKDRHRH3NPC1 | |
| SCHEMBL15884207 | 0.83 | P2RX3 (0.31) | P2RX3 | |
| SCHEMBL15884196 | 0.83 | P2RX3 (0.31) | P2RX3 | |
| SCHEMBL14734515 | 0.83 | P2RX3 (0.31) | P2RX3 | |
| SCHEMBL22764131 | 0.81 | MAPT (0.41) | P2RX3POLBKDRHRH3NPC1 | |
| SCHEMBL14730354 | 0.80 | PPARA (0.35) | MTNR1AMTNR1BNPC1RAB9ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013028465-A1 | CRYSTAL FORMS OF A HCV PROTEASE INHIBITOR | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013028470-A1 | PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |