Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22765710 | 0.89 | NPC1 (0.46) | LMNANPSR1CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL12457408 | 0.88 | NPSR1 (0.47) | LMNANPSR1CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL457220 | 0.87 | MAPT (0.52) | LMNANPSR1CYP2C19P2RX7GPR119 | |
| SCHEMBL458661 | 0.85 | HTR6 (0.45) | CYP3A4CYP2C19CYP1A2ATMMAPT | |
| SCHEMBL456774 | 0.80 | MEN1 (0.37) | LMNANPSR1MEN1KMT2A | |
| SCHEMBL23032404 | 0.76 | MAPT (0.48) | NPSR1MAPTMEN1TSHRKMT2A | |
| SCHEMBL12466602 | 0.76 | MAPT (0.51) | NPSR1CYP2C19CYP1A2MAPTMEN1 | |
| SCHEMBL30595778 | 0.76 | MAPT (0.48) | NPSR1MAPTMEN1TSHRKMT2A | |
| SCHEMBL4568018 | 0.75 | NLRP3 (0.55) | LMNANPSR1CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL21600746 | 0.75 | HDAC1 (0.52) | LMNANPSR1CYP3A4CYP2C19CYP1A2 |
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-2614052-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | Bristol-Myers Squibb Company (US) | 2013-07-17 | — | — | EP | disclosed |
| WO-2012033736-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |