Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14784239 | 0.85 | CYP2A6 (0.58) | CYP2A6PIM1GPR35ALDH1A1CA9 | |
| SCHEMBL7231342 | 0.84 | CYP2A6 (0.52) | CYP2A6PIM1GRIN1GRIN2AGRIN2B | |
| SCHEMBL6014124 | 0.78 | CYP2A6 (0.60) | CYP2A6GPR35CA1CA2CHRM2 | |
| SCHEMBL3999399 | 0.77 | CYP2A6 (0.58) | CYP2A6GPR35RAB9ANPC1ALDH1A1 | |
| SCHEMBL20559975 | 0.77 | CYP2A6 (0.58) | CYP2A6GPR35CA12CA1CA2 | |
| SCHEMBL8025307 | 0.77 | CYP2A6 (0.58) | CYP2A6ALDH1A1CA12CA1CA2 | |
| SCHEMBL7220876 | 0.77 | CYP2A6 (0.58) | CYP2A6ALDH1A1CA12CA1CA2 | |
| SCHEMBL29082332 | 0.77 | GPR35 (0.60) | CYP2A6GPR35RAB9ANPC1ALDH1A1 | |
| SCHEMBL17182456 | 0.77 | CYP2A6 (0.53) | CYP2A6PIM1GPR35ALDH1A1CA12 | |
| SCHEMBL3081130 | 0.75 | GPR35 (0.67) | CYP2A6PIM1GRIN1GRIN2AGRIN2B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685836-A2 | Antifungal activity of dicationic molecules | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2006-08-02 | — | — | EP | disclosed |
| EP-1214306-A1 | LIQUID CRYSTAL COMPOUNDS | Qinetiq Limited (GB) | 2002-06-19 | — | — | EP | disclosed |
| US-6326395-B1 | AMIDINE OR AMIDE SUBSTITUTED FURAN DERIVATIVES | DUKE UNIVERSITY | 2001-12-04 | — | — | US | disclosed |
| EP-1143959-A2 | ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2001021606-A1 | LIQUID CRYSTAL COMPOUNDS | QINETIQ LIMITED (GB) | 2001-03-29 | — | — | WO | disclosed |
| WO-2000015212-A2 | ANTIFUNGAL ACTIVITY OF DICATIONIC MOLECULES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2000-03-23 | — | — | WO | disclosed |