Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.46 |
| ▸ | CES1 | P23141 | 5/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9693658 | 0.83 | CES2 (0.65) | CES2CES1HCAR1HDAC1HDAC6 | |
| SCHEMBL1056148 | 0.82 | TPMT (0.70) | CES2CES1TPMTHCAR1SMN1; SMN2 | |
| SCHEMBL765387 | 0.82 | CES2 (0.46) | CES2CES1TPMTHCAR1HDAC3 | |
| SCHEMBL15935951 | 0.80 | CES2 (0.44) | CES2CES1TPMTHCAR1HDAC3 | |
| SCHEMBL2468003 | 0.80 | PARP1 (0.50) | CES2CES1TPMTHCAR1HDAC3 | |
| SCHEMBL24710981 | 0.78 | CES2 (0.54) | CES2CES1TPMTHCAR1HDAC3 | |
| SCHEMBL12086472 | 0.78 | CES1 (0.43) | CES2CES1TPMTHCAR1HDAC3 | |
| SCHEMBL15956471 | 0.77 | CES2 (0.73) | CES2CES1TPMTHCAR1KCNK3 | |
| SCHEMBL12868438 | 0.77 | CES2 (0.41) | CES2CES1TPMTHCAR1HDAC3 | |
| SCHEMBL3716152 | 0.77 | CES2 (0.41) | CES2CES1TPMTHCAR1HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1951690-B1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-03-28 | — | — | EP | disclosed |