Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL1294099 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP1A1CYP1B1AAK1PDGFRB | |
| SCHEMBL1505266 | 0.82 | MAPT (0.38) | XDHGSK3BKDM4ENPC1ALDH1A1 | |
| SCHEMBL1504541 | 0.82 | ALDH1A1 (0.39) | PDGFRBGSK3BKDM4EALDH1A1RAB9A | |
| SCHEMBL12833114 | 0.82 | ALDH1A1 (0.39) | PDGFRBGSK3BKDM4EALDH1A1RAB9A | |
| SCHEMBL1505257 | 0.81 | ADORA2A (0.39) | PDGFRBKDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL12506974 | 0.81 | ADORA2A (0.39) | PDGFRBKDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL1929144 | 0.81 | ADORA2A (0.39) | PDGFRBKDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL1293548 | 0.81 | AR (0.33) | CYP1A1CYP1B1PDGFRBGSK3BAR | |
| Hydrochloric Acid SCHEMBL19329630 | 0.80 | ADORA1 (0.38) | PDGFRBKDM4EALDH1A1MAPTRAB9A | |
| SCHEMBL15113506 | 0.78 | XDH (0.31) | AAK1XDHGSK3BSCN10A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499127-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| EP-2499115-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011059887-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011059850-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |