Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14811347 | 1.00 | CES1 (0.34) | CES1CES2TSHRALDH1A1TP53 | |
| SCHEMBL20960312 | 0.91 | CES2 (0.38) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL14811101 | 0.91 | CES2 (0.38) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL14811100 | 0.91 | CES2 (0.38) | CES1CES2TSHRALDH1A1 | |
| SCHEMBL10895739 | 0.86 | — | — | |
| SCHEMBL10409556 | 0.86 | — | — | |
| SCHEMBL10620349 | 0.86 | — | — | |
| SCHEMBL3379417 | 0.81 | — | — | |
| SCHEMBL10946788 | 0.81 | — | — | |
| Acrylic Acid SCHEMBL28705812 | 0.80 | GPR84 (0.41) | TSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111491922-A | Small molecule modulators of the BTB domain of Keap1 | 免疫医疗有限公司 | 2020-08-04 | — | — | CN | disclosed |
| EP-2758377-A1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-30 | — | — | EP | disclosed |
| WO-2013040863-A1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |