Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9052472 | 0.90 | TSHR (0.48) | TSHRALDH1A1IDO1TP53AGXT | |
| SCHEMBL1450921 | 0.88 | TSHR (0.46) | TSHRALDH1A1IDO1TP53AGXT | |
| SCHEMBL383496 | 0.86 | TSHR (0.48) | TSHRALDH1A1IDO1TP53AGXT | |
| SCHEMBL31124761 | 0.78 | CYP4F2 (0.33) | TSHRALDH1A1IDO1TP53AGXT | |
| SCHEMBL9407989 | 0.78 | MAOB (0.43) | TSHRALDH1A1IDO1AGXTCA1 | |
| SCHEMBL28027281 | 0.77 | TSHR (0.36) | TSHRALDH1A1IDO1L3MBTL1HTR1A | |
| SCHEMBL194803 | 0.77 | TSHR (0.57) | TSHRALDH1A1IDO1AGXTCA1 | |
| SCHEMBL9008151 | 0.76 | TSHR (0.39) | TSHRALDH1A1IDO1AGXTCA1 | |
| SCHEMBL11687302 | 0.75 | TSHR (0.55) | TSHRALDH1A1IDO1AGXTCA1 | |
| SCHEMBL28136776 | 0.75 | ALDH1A1 (0.38) | TSHRALDH1A1IDO1TP53AGXT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019204477-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-10-24 | — | — | WO | disclosed |