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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8441786 | 1.00 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1MEN1KMT2AALOX15 | |
| SCHEMBL8442043 | 0.92 | CYP2C9 (0.41) | SMN1; SMN2NR1I2CYP2C9KCNH2 | |
| SCHEMBL8444682 | 0.92 | CYP2C9 (0.41) | SMN1; SMN2NR1I2CYP2C9KCNH2 | |
| SCHEMBL8445116 | 0.90 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1ALOX15NR1I2GAA | |
| SCHEMBL8444688 | 0.90 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1ALOX15NR1I2GAA | |
| SCHEMBL8445721 | 0.90 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1ALOX15NR1I2GAA | |
| SCHEMBL8444090 | 0.90 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1ALOX15NR1I2GAA | |
| SCHEMBL8445118 | 0.90 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1ALOX15NR1I2GAA | |
| SCHEMBL8444273 | 0.89 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1ALOX15NR1I2GAA | |
| SCHEMBL8445550 | 0.89 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1ALOX15NR1I2GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0835604-A1 | Halopropargyl compounds as marine antifouling agents | ROHM AND HAAS COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |
| US-5354862-A | Preparation and the use of halopropargylated cyclic quaternary ammonium compounds as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1994-10-11 | — | — | US | disclosed |
| 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 |