Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9626044 | 0.80 | CALM1 (0.31) | TDP1 | |
| SCHEMBL9270295 | 0.79 | NAPRT (0.43) | CYP2A6CYP1A2CYP2D6TDP1L3MBTL1 | |
| SCHEMBL27287431 | 0.77 | CYP2C9 (0.38) | CYP1A2CYP2D6TDP1HRH1CHRNB2 | |
| SCHEMBL12854098 | 0.75 | CHRNB2 (0.49) | CYP2A6CYP1A2CYP2D6TDP1L3MBTL1 | |
| SCHEMBL10333077 | 0.74 | CALM1 (0.32) | CYP1A2CYP2D6TDP1HRH1CHRM2 | |
| SCHEMBL826569 | 0.74 | TDP1 (0.67) | CYP2A6CYP1A2CYP2D6TDP1L3MBTL1 | |
| SCHEMBL742233 | 0.73 | HRH1 (0.68) | CYP2A6CYP1A2CYP2D6TDP1L3MBTL1 | |
| SCHEMBL740922 | 0.73 | HRH1 (0.68) | CYP2A6CYP1A2CYP2D6TDP1L3MBTL1 | |
| SCHEMBL10350863 | 0.73 | HRH1 (0.68) | CYP2A6CYP1A2CYP2D6TDP1L3MBTL1 | |
| SCHEMBL10349750 | 0.73 | HRH1 (0.68) | CYP2A6CYP1A2CYP2D6TDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120852-A | Contacting an alkyl isothiocyanate with an anionized sulfoxide | RHONE-POULENC SANTE (FR) | 1992-06-09 | — | — | US | disclosed |
| US-4751234-A | Certain N-alkyl-2-[(quinolin-3-yl)-tetrahydro-pyran or furan]-2-carbothiamide 1-oxide derivatives useful for treating hypertension | RHONE-POULENC SANTE (FR) | 1988-06-14 | — | — | US | disclosed |
| US-4568682-A | Certain N-lower-alkyl-2-(pyridin-3yl)-tetrahydrothiophene or tetrahydrothiopyran-2-carbothioamide-1-oxides having anti-hypertensive activity | RHONE-POULENC SANTE (FR) | 1986-02-04 | — | — | US | disclosed |