Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12798518 | 0.86 | ALDH1A1 (0.44) | L3MBTL1ALDH1A1POLBSMN1; SMN2KDM4E | |
| SCHEMBL753231 | 0.86 | DYRK1A (0.43) | L3MBTL1TSHRALDH1A1RXFP1POLB | |
| SCHEMBL14723766 | 0.86 | ALDH1A1 (0.40) | L3MBTL1TSHRALDH1A1RXFP1POLB | |
| SCHEMBL13389771 | 0.85 | TSHR (0.39) | L3MBTL1TSHRALDH1A1RXFP1POLB | |
| SCHEMBL13379438 | 0.82 | TSHR (0.38) | L3MBTL1TSHRALDH1A1RXFP1POLB | |
| SCHEMBL305742 | 0.77 | ALDH1A1 (0.44) | L3MBTL1TSHRALDH1A1RXFP1POLB | |
| SCHEMBL18730881 | 0.76 | ADORA2B (0.46) | L3MBTL1ALDH1A1POLBKDM4E | |
| SCHEMBL12798535 | 0.74 | KDM4E (0.40) | TSHRALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL13388261 | 0.73 | ALDH1A1 (0.44) | L3MBTL1ALDH1A1POLBKDM4E | |
| SCHEMBL756465 | 0.71 | PKM (0.40) | L3MBTL1ALDH1A1POLBSMN1; SMN2KDM4E |
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 |