Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Cetrimonium SCHEMBL11744741 | 0.87 | KCNH2 (0.61) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| Tetrabuthylammonium SCHEMBL5693991 | 0.85 | KCNH2 (0.49) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| Tetrabuthylammonium SCHEMBL157620 | 0.84 | LMNA (0.61) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| Tetrabuthylammonium SCHEMBL332036 | 0.84 | KCNH2 (0.48) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| Tetrabuthylammonium SCHEMBL19019699 | 0.83 | GAA (0.47) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| Tetrabuthylammonium SCHEMBL9450288 | 0.83 | LMNA (0.60) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| Tetrabuthylammonium SCHEMBL6750374 | 0.83 | LMNA (0.47) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| SCHEMBL331346 | 0.81 | KCNH2 (0.66) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| SCHEMBL330757 | 0.81 | HTT (0.52) | KCNH2TSHRLMNACYP2C19CYP2D6 | |
| SCHEMBL9619329 | 0.81 | KCNH2 (0.66) | KCNH2TSHRLMNACYP2C19CYP2D6 |
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-1663115-A1 | DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS | 3M Innovative Properties Company (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005034884-A1 | DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2005-04-21 | — | — | WO | disclosed |
| US-4063889-A | Halosolvent dyeing process for polyester with cationic dyes having sulfosuccinate anions | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-12-20 | — | — | US | disclosed |