Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29735389 | 0.96 | CYP2A6 (0.48) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| SCHEMBL939375 | 0.96 | CYP2A6 (0.48) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| SCHEMBL142551 | 0.89 | CYP1A2 (0.55) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| SCHEMBL29364650 | 0.89 | CYP1A2 (0.55) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| SCHEMBL731864 | 0.87 | GPR3 (0.54) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| SCHEMBL29388065 | 0.87 | GPR3 (0.54) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| Hydrogen Sulfide SCHEMBL28590036 | 0.86 | CYP1A2 (0.52) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| SCHEMBL15785773 | 0.86 | GPR3 (0.48) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| Dibenzothiophene SCHEMBL17841704 | 0.85 | GPR3 (0.58) | CYP2A6CYP1A2ALDH1A1MAPTPOLB | |
| Dibenzothiophene SCHEMBL6130180 | 0.85 | GPR3 (0.58) | CYP2A6CYP1A2ALDH1A1MAPTPOLB |
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-1335962-A4 | OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND | SULPHCO INC (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1335962-A1 | OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND | Sulphco.Inc. (US) | 2003-08-20 | — | — | EP | disclosed |
| WO-2002026916-A1 | OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND | SULPHCO. INC. (US) | 2002-04-04 | — | — | WO | disclosed |