Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2761335 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| SCHEMBL20002043 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| SCHEMBL7576295 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| SCHEMBL19319176 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| SCHEMBL13610411 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| SCHEMBL17885860 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| SCHEMBL28034552 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL28216041 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| SCHEMBL24341919 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHRALOX15ESR1ESR2 | |
| SCHEMBL5354310 | 0.75 | HSD11B1 (0.63) | ALDH1A1TSHRALOX15HSD11B1NR1H2 |
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-3240546-A1 | TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2016109222-A1 | TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |