Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | RXRB | P28702 | 1/20 | 0.53 |
| ▸ | RXRG | P48443 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GCG | P01275 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31587169 | 0.86 | AR (0.47) | RXRARXRBRXRGALDH1A1L3MBTL1 | |
| SCHEMBL18087490 | 0.85 | CYP2C8 (0.48) | RXRARXRBRXRGALDH1A1MAPT | |
| SCHEMBL26781440 | 0.85 | HDAC1 (0.58) | HDAC6HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL15603517 | 0.82 | HDAC3 (0.63) | RXRARXRBRXRGMAPTL3MBTL1 | |
| SCHEMBL31587382 | 0.79 | AR (0.49) | ALDH1A1MAPTL3MBTL1GAAHDAC6 | |
| SCHEMBL13920721 | 0.78 | FFAR1 (0.56) | FFAR1HCAR2POLB | |
| Benzene SCHEMBL27855758 | 0.77 | HDAC6 (0.43) | ALDH1A1MAPTL3MBTL1HDAC6HDAC3 | |
| SCHEMBL4548446 | 0.77 | FFAR1 (0.48) | RXRARXRBRXRGALDH1A1MAPT | |
| SCHEMBL30922254 | 0.76 | ABCB11 (0.46) | ALDH1A1HDAC6KDM4ECYP2C9PTGS1 | |
| SCHEMBL7055587 | 0.75 | RPA1 (0.51) | ALDH1A1MAPTL3MBTL1GAAHDAC6 |
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-0991625-A2 | INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-12 | — | — | EP | disclosed |
| WO-1998057937-A2 | INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |