Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16670419 | 0.97 | PIN1 (0.52) | PIN1MEN1KMT2ATDP1RAB9A | |
| SCHEMBL26984449 | 0.83 | TDP1 (0.58) | PIN1MEN1KMT2ATDP1RAB9A | |
| SCHEMBL16597748 | 0.81 | SCN9A (0.54) | PIN1MEN1KMT2ATDP1RAB9A | |
| SCHEMBL13919652 | 0.81 | XPO1 (0.60) | PIN1MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL17673007 | 0.80 | PIN1 (0.56) | PIN1POLBPARP10 | |
| SCHEMBL26984232 | 0.80 | CYP1A2 (0.72) | PIN1MEN1KMT2ATDP1RAB9A | |
| SCHEMBL29193018 | 0.79 | RAB9A (0.51) | MEN1KMT2ATDP1RAB9ACTNNB1 | |
| SCHEMBL16670315 | 0.77 | KMT2A (0.50) | MEN1KMT2ATDP1CTNNB1POLB | |
| SCHEMBL16670718 | 0.77 | BTK (0.53) | MEN1KMT2ATDP1RAB9ACTNNB1 | |
| SCHEMBL12620334 | 0.76 | PIN1 (0.60) | PIN1MEN1KMT2ARAB9APOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112313207-B | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2023-02-14 | — | — | CN | disclosed |
| CN-112313207-A | Cyano-substituted pyridine and cyano-substituted pyrimidine compounds, and preparation methods and applications thereof | 北京赛特明强医药科技有限公司 | 2021-02-02 | — | — | CN | disclosed |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |