Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 5/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL461827 | 0.88 | MAPT (0.50) | HTR6MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL470476 | 0.88 | MAPT (0.49) | HTR6MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL459024 | 0.85 | LMNA (0.43) | MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL20213879 | 0.76 | SIRT6 (0.44) | HTR6MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL16257042 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20214003 | 0.75 | SIRT6 (0.43) | HTR6MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL21464544 | 0.75 | KMT2A (0.44) | HTR6MAPTKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL3531700 | 0.74 | ATR (0.53) | MAPTKDM4EALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL7399477 | 0.74 | KDM4E (0.63) | MAPTKDM4EALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL459443 | 0.74 | ABCG2 (0.51) | KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4 |
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 |