Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7084821 | 0.84 | THRA (0.53) | THRATHRBPTGS1PTGS2JAK2 | |
| SCHEMBL22632403 | 0.84 | THRA (0.51) | AHRNR4A2THRATHRBPTGS1 | |
| SCHEMBL7088569 | 0.81 | THRA (0.53) | AHRTHRATHRBPTGS1PTGS2 | |
| SCHEMBL7091630 | 0.80 | AHR (0.47) | CYP2A6AHRNR4A2THRATHRB | |
| SCHEMBL7089721 | 0.76 | THRA (0.45) | THRATHRBALDH1A1GLALTA4H | |
| SCHEMBL3484001 | 0.74 | PDE7A (0.59) | ALDH1A1GLAMAPTHTT | |
| SCHEMBL3053391 | 0.74 | HSPB1 (0.56) | ALDH1A1MAPTHTT | |
| SCHEMBL2468340 | 0.74 | CTSV (0.56) | PTGS1PTGS2MAOAMAPTHTT | |
| SCHEMBL29821791 | 0.74 | ALDH1A1 (0.46) | PTGS2ALDH1A1GLANQO2MAPT | |
| SCHEMBL7090515 | 0.73 | THRA (0.56) | THRATHRBHDAC1LTA4H |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268422-A1 | INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES | Bayer Aktiengesellschaft (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001070687-A1 | INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-09-27 | — | — | WO | disclosed |