Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 15/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL8414944 | 0.91 | HDAC3 (0.39) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL8413558 | 0.89 | HDAC3 (0.33) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL8413555 | 0.79 | CYP2D6 (0.34) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL8414939 | 0.76 | CASP1 (0.46) | — | |
| SCHEMBL6765535 | 0.76 | CYP2D6 (0.44) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL8414370 | 0.76 | ACE (0.61) | ACEPPARGPPARA | |
| SCHEMBL8414368 | 0.76 | ACE (0.61) | ACEPPARGPPARA | |
| SCHEMBL8411504 | 0.75 | TSHR (0.34) | CYP1A2 | |
| SCHEMBL8413592 | 0.74 | HDAC3 (0.33) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL21446926 | 0.73 | CTSK (0.47) | ACECYP2D6CYP1A2CYP2C9CYP2C19 |
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-0932598-A1 | ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | WARNER-LAMBERT COMPANY (US) | 1999-08-04 | — | — | EP | disclosed |
| WO-1998016502-A1 | ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | WARNER-LAMBERT COMPANY (US) | 1998-04-23 | — | — | WO | disclosed |