Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL256787 | 0.82 | ALDH1A1 (0.63) | TAAR1HTR2APOLBCTDSP1FFAR1 | |
| SCHEMBL27626526 | 0.78 | NOS3 (0.43) | FFAR1ALDH1A1 | |
| SCHEMBL7675448 | 0.78 | ESR1 (0.62) | TAAR1POLBALDH1A1 | |
| SCHEMBL4484073 | 0.76 | FFAR1 (0.53) | TAAR1HTR2APOLBCTDSP1FFAR1 | |
| SCHEMBL7946947 | 0.76 | TAAR1 (0.50) | TAAR1POLBCTDSP1FFAR1PDPK1 | |
| SCHEMBL9253136 | 0.76 | TAAR1 (0.50) | TAAR1FFAR1 | |
| SCHEMBL27576975 | 0.76 | GFER (0.59) | ALDH1A1 | |
| SCHEMBL626076 | 0.76 | TAAR1 (0.68) | TAAR1HTR2APOLBCTDSP1ALDH1A1 | |
| SCHEMBL16274 | 0.75 | ALDH1A1 (0.67) | FFAR1ALDH1A1 | |
| SCHEMBL10439461 | 0.75 | L3MBTL1 (0.47) | TAAR1HTR2APOLBCTDSP1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189508-A | Cycloalkyl nitrile pyrazolo pyridones as JANUS kinase inhibitors | MERCK SHARP & DOHME | 2015-12-23 | — | — | CN | disclosed |