Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 10/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.34 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL299964 | 0.81 | TSHR (0.42) | TSHRALDH1A1HTTARSLC22A12 | |
| SCHEMBL10471530 | 0.78 | TSHR (0.46) | TSHRALDH1A1HTTARSLC22A12 | |
| SCHEMBL30539490 | 0.78 | TSHR (0.46) | TSHRALDH1A1HTTARSLC22A12 | |
| Ethylene SCHEMBL28248107 | 0.78 | TSHR (0.46) | TSHRALDH1A1HTTARSLC22A12 | |
| SCHEMBL179312 | 0.77 | TSHR (0.50) | TSHRALDH1A1HTTARSLC22A12 | |
| Ethane SCHEMBL2153712 | 0.75 | TSHR (0.48) | TSHRALDH1A1HTTARSLC22A12 | |
| SCHEMBL30619339 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTARSLC22A12 | |
| SCHEMBL16019328 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTARSLC22A12 | |
| SCHEMBL9034853 | 0.74 | TSHR (0.46) | TSHRALDH1A1HTTARSLC22A12 | |
| SCHEMBL29852135 | 0.74 | AR (0.47) | TSHRALDH1A1HTTARSLC22A12 |
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-3122353-B1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | UNIV VANDERBILT (US) | 2020-10-28 | — | — | EP | disclosed |