Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | GHSR | Q92847 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12694223 | 0.87 | TP53 (0.45) | GPBAR1ALDH1A1SMN1; SMN2NPC1KDM4E | |
| SCHEMBL21752798 | 0.83 | S1PR1 (0.43) | GPBAR1ALDH1A1L3MBTL1POLBNPSR1 | |
| SCHEMBL27927956 | 0.79 | ESR1 (0.48) | ERN1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL27936743 | 0.79 | PTGS1 (0.50) | GPBAR1HTR7ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL3724318 | 0.79 | PTGS1 (0.57) | GPBAR1ALDH1A1MAPTL3MBTL1HSD17B10 | |
| SCHEMBL12694208 | 0.77 | LMNA (0.40) | GPBAR1ALDH1A1SMN1; SMN2NPC1KDM4E | |
| SCHEMBL27927967 | 0.77 | PLK1 (0.39) | GPBAR1ALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL457431 | 0.75 | GPBAR1 (0.62) | GPBAR1GHSRALDH1A1NPC1KDM4E | |
| SCHEMBL30394156 | 0.75 | GPBAR1 (0.62) | GPBAR1GHSRALDH1A1NPC1KDM4E | |
| SCHEMBL21752793 | 0.75 | GPBAR1 (0.49) | GPBAR1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012033736-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |