Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8442043 | 1.00 | CYP2C9 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL8441786 | 0.92 | SMN1; SMN2 (0.39) | CYP2C9KCNH2NR1I2SMN1; SMN2 | |
| SCHEMBL8612876 | 0.92 | SMN1; SMN2 (0.39) | CYP2C9KCNH2NR1I2SMN1; SMN2 | |
| SCHEMBL8441877 | 0.90 | SMN1; SMN2 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL8441703 | 0.90 | SMN1; SMN2 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL8442428 | 0.90 | SMN1; SMN2 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL8444520 | 0.90 | SMN1; SMN2 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL8441945 | 0.90 | SMN1; SMN2 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL8445446 | 0.90 | SMN1; SMN2 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL8445715 | 0.90 | SMN1; SMN2 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6008244-A | APPLYING ONTO OR INTO THE MARINE STRUCTURE TO INHIBIT GROWTH SUCH AS SOFT CORALS, TUNICATES, HYDROIDS, SPONGES, ANEMONES, BARNACLES, TUBEWORMS AND MOLLUSCS | ROHM AND HAAS COMPANY (US) | 1999-12-28 | — | — | US | disclosed |
| 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 |