Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.58 |
| ▸ | GPR3 | P46089 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29903935 | 0.94 | GPR3 (0.54) | HPRT1GPR3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL1294668 | 0.94 | GPR3 (0.54) | HPRT1GPR3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL21789326 | 0.87 | HPRT1 (0.70) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL15497424 | 0.87 | GPR3 (0.68) | GPR3ALDH1A1MAPTRAB9AHPGD | |
| SCHEMBL45841 | 0.84 | GPR3 (0.48) | HPRT1GPR3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL12269172 | 0.83 | GPR3 (0.52) | GPR3ALDH1A1HSD17B10MAPTCYP1B1 | |
| SCHEMBL12069799 | 0.83 | HPRT1 (0.64) | HPRT1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL2606564 | 0.82 | GPR3 (0.46) | HPRT1GPR3ALDH1A1HSD17B10CYP2A6 | |
| Phenanthrene SCHEMBL16752562 | 0.82 | GPR3 (0.70) | HPRT1GPR3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL13562200 | 0.82 | CYP2A6 (0.42) | HPRT1GPR3ALDH1A1HSD17B10CYP2A6 |
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-20120156798-A1 | DETERMINATION OF CORES OR BUILDING BLOCKS AND RECONSTRUCTION OF PARENT MOLECULES IN HEAVY PETROLEUMS AND OTHER HYDROCARBON RESOURCES | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2012-06-21 | — | — | US | disclosed |