Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8445119 | 0.94 | SMN1; SMN2 (0.39) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8445118 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8445721 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8444688 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8444090 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8445116 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8445550 | 0.86 | SMN1; SMN2 (0.50) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8444273 | 0.86 | SMN1; SMN2 (0.50) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8441786 | 0.84 | SMN1; SMN2 (0.39) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 | |
| SCHEMBL8441422 | 0.84 | SMN1; SMN2 (0.39) | SMN1; SMN2ALOX15NR1I2KCNH2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5266567-A | Bactericides, fungicides, algicides | ROHM AND HAAS COMPANY (US) | 1993-11-30 | — | — | US | disclosed |
| EP-0539114-A2 | Halopropargylated cyclic quaternary ammonium compound as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1993-04-28 | — | — | EP | disclosed |