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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11368023 | 0.95 | NFKB1 (0.52) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL28396132 | 0.86 | CA2 (0.48) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL6309267 | 0.86 | CA2 (0.52) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL20547157 | 0.86 | CA2 (0.48) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Lithium Ion SCHEMBL22232688 | 0.84 | TSHR (0.43) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL11294141 | 0.78 | CA2 (0.61) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL15309768 | 0.78 | CA2 (0.48) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL7092099 | 0.76 | CA2 (0.49) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL11291929 | 0.75 | CA2 (0.57) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| SCHEMBL967149 | 0.74 | ADRA1A (0.48) | CYP3A4TSHRNFKB1NPSR1HDAC1 |
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-0005422-B1 | DERIVATIVES OF OMEGA-DIALKYLALKANOIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE | SANOFI S.A. (FR) | 1982-10-27 | — | — | EP | claimed |