Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5664790 | 0.82 | CYP1A2 (0.55) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL168894 | 0.82 | HTR2A (0.60) | ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6 | |
| SCHEMBL30992096 | 0.82 | HTR2A (0.60) | ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6 | |
| Ammonia Solution, Strong SCHEMBL28993836 | 0.80 | HTR2A (0.58) | ALDH1A1HSD17B10CYP1B1HIF1ACYP2A6 | |
| SCHEMBL596869 | 0.79 | HPRT1 (0.54) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL3343719 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL19065039 | 0.79 | L3MBTL1 (0.70) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL83486 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL27955064 | 0.79 | HPRT1 (0.54) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 | |
| SCHEMBL12627467 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP1B1HIF1AHPRT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1461041-A4 | PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES | PHARMASSET LTD (BB) | 2006-03-29 | — | — | EP | disclosed |
| EP-1461041-A2 | PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES | Pharmasset Ltd. (BB) | 2004-09-29 | — | — | EP | disclosed |
| WO-2003051298-A2 | PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES | PHARMASSET LTD. (BB) | 2003-06-26 | — | — | WO | disclosed |