Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4758007 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2C19GAATDP1TSHR | |
| SCHEMBL15123871 | 0.87 | CYP3A4 (0.45) | CYP3A4CYP2C19GAATDP1TSHR | |
| SCHEMBL15123868 | 0.87 | CYP3A4 (0.45) | CYP3A4CYP2C19GAATDP1TSHR | |
| SCHEMBL15075929 | 0.82 | KDM4E (0.43) | TDP1 | |
| Hydrochloric Acid SCHEMBL7869080 | 0.80 | TSHR (0.47) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL6824021 | 0.80 | DPP7 (0.56) | CYP3A4CYP2C19TSHRL3MBTL1CASR | |
| SCHEMBL16133067 | 0.78 | DPP7 (0.35) | — | |
| SCHEMBL7355494 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP2C19GAATSHRKMT2A | |
| SCHEMBL15124202 | 0.78 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRALDH1A1 | |
| SCHEMBL10076132 | 0.78 | CYP3A4 (0.49) | CYP3A4CYP2C19GAATSHRALDH1A1 |
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-1567489-B1 | PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA | GLAXO GROUP LTD (GB) | 2008-07-23 | — | — | EP | disclosed |