Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.35 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7662098 | 0.75 | IDO1 (0.42) | ABCG2CSNK2A2CSNK2BCSNK2A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL7652459 | 0.74 | IDO1 (0.41) | ABCG2CSNK2A2CSNK2BCSNK2A1CYP1A2 | |
| SCHEMBL8682254 | 0.69 | EGFR (0.43) | ABCG2CYP3A4HDAC8LMNA | |
| SCHEMBL28881990 | 0.69 | CYP2A6 (0.56) | CYP1A2CYP3A4HPGDCHRNB2CHRNA5 | |
| SCHEMBL29984880 | 0.69 | CYP2A6 (0.56) | CYP1A2CYP3A4HPGDCHRNB2CHRNA5 | |
| SCHEMBL4396963 | 0.68 | CLK4 (0.67) | ABCG2CYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL3841296 | 0.65 | CA12 (0.48) | ABCG2CYP3A4CYP2C9CLK4MEN1 | |
| SCHEMBL22744178 | 0.65 | MAP4K4 (0.37) | ABCG2CSNK2A2CSNK2BCSNK2A1CYP1A2 | |
| SCHEMBL27819271 | 0.64 | ADORA2A (0.46) | ABCG2CYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL1801527 | 0.64 | PDGFRB (0.50) | CYP1A2HPGDTSHRMAPK1MEN1 |
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-1979348-A2 | ANTI-VIRAL COMPOUNDS | Abbott Laboratories (US) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007076034-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2007-07-05 | — | — | WO | disclosed |