Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALB | P02768 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29142129 | 0.87 | MCHR1 (0.46) | MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL14778175 | 0.86 | ALDH1A1 (0.42) | MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL28412955 | 0.84 | TDP1 (0.41) | ALDH1A1TSHRTDP1 | |
| SCHEMBL9228850 | 0.81 | MCHR1 (0.42) | MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17223933 | 0.79 | MCHR1 (0.44) | MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL8394723 | 0.79 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9993581 | 0.78 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4 | |
| Ammonia Solution, Strong SCHEMBL11193300 | 0.78 | MCHR1 (0.41) | MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL15963902 | 0.77 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL2895372 | 0.77 | CA12 (0.40) | ALDH1A1CYP2C9CYP2C19CYP3A4MEN1 |
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-0675117-A1 | Bromopropargyl quaternary ammonium compounds having antimicrobial activity | ROHM AND HAAS COMPANY (US) | 1995-10-04 | — | — | EP | claimed |
| US-5411933-A | Bromopropargyl quarternary ammonium compounds having antimicrobial activity | ROHM & HAAS COMPANY (US) | 1995-05-02 | — | — | US | claimed |
| US-6613340-B2 | Substantive UV absorbing organic-soluble quaternary salts of cinnamidoalkylamine are described. Hair, skin and fabric care compositions containing the compounds of formula I. | GALAXY SURFACTANTS LTD. (IN) | 2003-09-02 | — | — | US | disclosed |