Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | MMP12 | P39900 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | NOS1 | P29475 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5025501 | 0.89 | MMP12 (0.69) | CES1CA2MMP12MMP13HDAC3 | |
| SCHEMBL709703 | 0.83 | MMP12 (0.67) | CES1CA2MMP12MMP13HDAC3 | |
| SCHEMBL29308029 | 0.81 | MMP12 (0.65) | CES1CA2MMP12MMP13HDAC3 | |
| SCHEMBL577035 | 0.81 | CA2 (0.62) | CA2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL11449287 | 0.79 | ALOX5 (0.52) | CES1CA2MMP12MMP13SMN1; SMN2 | |
| SCHEMBL4574068 | 0.78 | MMP12 (0.82) | CES1CA2MMP12MMP13HDAC3 | |
| SCHEMBL708693 | 0.76 | KDM1A (0.51) | CES1MMP12MMP13MAPK1SMN1; SMN2 | |
| SCHEMBL8990052 | 0.76 | CES1 (0.62) | CES1CA2MMP12MMP13HDAC3 | |
| SCHEMBL20395222 | 0.75 | CYP2C19 (0.59) | SMN1; SMN2MAPTNPC1RAB9ACASP3 | |
| SCHEMBL775567 | 0.74 | CYP1A2 (0.58) | CA2NOS1MAPTRXFP1L3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1129108-A4 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORP (US) | 2002-01-09 | — | — | EP | disclosed |
| EP-1129108-A1 | CASPASES AND APOPTOSIS | SmithKline Beecham Corporation (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000020440-A1 | CASPASES AND APOPTOSIS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-04-13 | — | — | WO | disclosed |