Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL753231 | 0.89 | DYRK1A (0.43) | ALDH1A1TSHRKDM4EHPGDMAPK1 | |
| SCHEMBL13389771 | 0.88 | TSHR (0.39) | ALDH1A1TSHRKDM4EHPGDMAPT | |
| SCHEMBL13379438 | 0.86 | TSHR (0.38) | ALDH1A1TSHRKDM4EHPGDMAPT | |
| SCHEMBL14723650 | 0.86 | L3MBTL1 (0.42) | ALDH1A1TSHRKDM4ERXFP1POLB | |
| SCHEMBL12491728 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDMAPTPOLB | |
| SCHEMBL305742 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TSHRMAPTRXFP1POLB | |
| SCHEMBL18730881 | 0.79 | ADORA2B (0.46) | ALDH1A1KDM4EMAPTPOLBL3MBTL1 | |
| SCHEMBL13388261 | 0.76 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDMAPTPOLB | |
| SCHEMBL756465 | 0.74 | PKM (0.40) | ALDH1A1KDM4EHPGDMAPTPOLB | |
| SCHEMBL755951 | 0.73 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4EHPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8383094-B2 | inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |