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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.31 |
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.31 |
| ▸ | TSHR | P16473 | 7/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4340913 | 0.92 | TSHR (0.33) | TSHRACHEHPGDGALR3CHRM5 | |
| SCHEMBL304033 | 0.84 | TSHR (0.43) | TSHRHPGDGALR3CHRM5CHRM1 | |
| Hydrochloric Acid SCHEMBL27659543 | 0.83 | CHRM5 (0.44) | TSHRHPGDGALR3CHRM5CHRM1 | |
| SCHEMBL231256 | 0.81 | TSHR (0.47) | TSHRHPGDALDH1A1TP53HIF1A | |
| Acrylic Acid SCHEMBL4340916 | 0.80 | TSHR (0.40) | TSHRHPGDGALR3CHRM5CHRM1 | |
| Ammonia Solution, Strong SCHEMBL27707442 | 0.79 | TSHR (0.39) | TSHRHPGDGALR3CHRM5CHRM1 | |
| Sulfuric Acid SCHEMBL1952726 | 0.77 | TSHR (0.47) | TSHRHPGDGALR3CHRM5CHRM1 | |
| SCHEMBL11762341 | 0.76 | TSHR (0.49) | TSHRHPGDGALR3CHRM5CHRM1 | |
| Sulfuric Acid SCHEMBL1952728 | 0.76 | TSHR (0.46) | TSHRHPGDGALR3CHRM5CHRM1 | |
| Sulfuric Acid SCHEMBL31228302 | 0.76 | CHRM5 (0.48) | TSHRHPGDGALR3CHRM5CHRM1 |
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-1928979-B1 | FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS | ROLIC AG (CH) | 2009-03-04 | — | — | EP | disclosed |