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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 5/20 | 0.38 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.36 |
| ▸ | SCN1A | P35498 | 2/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2470945 | 0.90 | TSHR (0.44) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL1598545 | 0.89 | TSHR (0.55) | TSHRHPGDALDH1A1TP53HIF1A | |
| Hydrochloric Acid SCHEMBL2733907 | 0.87 | TSHR (0.53) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL1847699 | 0.86 | TSHR (0.44) | TSHRHPGDALDH1A1TP53HIF1A | |
| Methylsulfanylmethane SCHEMBL10483613 | 0.85 | TSHR (0.52) | TSHRHPGDALDH1A1TP53HIF1A | |
| Chloromethane SCHEMBL632241 | 0.85 | TSHR (0.52) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL10483610 | 0.85 | TSHR (0.52) | TSHRHPGDALDH1A1TP53HIF1A | |
| Hydrochloric Acid SCHEMBL1706793 | 0.84 | CHRM5 (0.46) | TSHRHPGDALDH1A1TP53HIF1A | |
| Hydrochloric Acid SCHEMBL27659544 | 0.84 | TSHR (0.43) | TSHRHPGDALDH1A1TP53HIF1A | |
| Ammonia Solution, Strong SCHEMBL27687333 | 0.84 | TSHR (0.43) | TSHRHPGDALDH1A1TP53HIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0049766-B1 | HIGH CONCENTRATION WATER SOLUBLE POLYMERS AS WATER-IN-OIL EMULSIONS | AMERICAN CYANAMID COMPANY (US) | 1985-03-27 | — | — | EP | claimed |