Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17885860 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL19319176 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL13610411 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL17895323 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL15721129 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL5079313 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL14581543 | 0.78 | TSHR (0.50) | ALDH1A1TSHRMAPK1ALOX15MAPT | |
| SCHEMBL4600929 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL12339111 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL13554 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1TAAR1ALOX15 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |