Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL21049496 | 0.68 | ALDH1A1 (0.61) | ALDH1A1MAOAMAOBKCNH2HPGD | |
| SCHEMBL9741303 | 0.68 | ALDH1A1 (0.69) | ALDH1A1FFAR1MAOAMAOBKCNH2 | |
| SCHEMBL62125 | 0.68 | ALDH1A1 (0.69) | ALDH1A1FFAR1MAOAMAOBKCNH2 | |
| Benzene SCHEMBL3440179 | 0.68 | ALDH1A1 (0.69) | ALDH1A1FFAR1MAOAMAOBKCNH2 | |
| Toluene SCHEMBL285099 | 0.67 | ALOX12 (0.65) | ALDH1A1MAOAMAOBKCNH2HPGD | |
| O-Xylene SCHEMBL29187622 | 0.67 | TSHR (0.59) | ALDH1A1MAOAMAOBKCNH2HPGD | |
| Cyclooctane SCHEMBL18187569 | 0.66 | SIGMAR1 (0.58) | ALDH1A1MAOAMAOBKCNH2HPGD | |
| Methylamine SCHEMBL3038332 | 0.66 | MAOA (0.65) | ALDH1A1MAOAMAOBKCNH2HPGD | |
| SCHEMBL25402413 | 0.65 | ALDH1A1 (0.65) | ALDH1A1FFAR1MAOAMAOBKCNH2 | |
| Hydrogen Sulfide SCHEMBL5468201 | 0.65 | ALDH1A1 (0.65) | ALDH1A1FFAR1MAOAMAOBKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6046346-A | Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2000-04-04 | — | — | US | disclosed |
| EP-0926150-A2 | Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide | Honshu Chemical Industry Co. Ltd. (JP) | 1999-06-30 | — | — | EP | disclosed |