Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17108551 | 0.83 | ADRA2C (0.41) | ADRB2ADRB1ADRB3SCN8AKCNH2 | |
| SCHEMBL21601057 | 0.81 | KDM1A (0.50) | CD274ATML3MBTL1KCNH2KDM4E | |
| SCHEMBL12240318 | 0.80 | HTR7 (0.47) | SCN8ACHRM2KCNH2ALDH1A1GAA | |
| SCHEMBL26652095 | 0.79 | GABRA1 (0.47) | ADRB2ADRB1ADRB3TSHRMAPK1 | |
| SCHEMBL21600983 | 0.77 | HTR1A (0.42) | CD274SCN8ACHRM2KDM4EALDH1A1 | |
| SCHEMBL23841328 | 0.77 | CA12 (0.39) | KDM4EALDH1A1MAPK1 | |
| SCHEMBL23330757 | 0.76 | ATM (0.49) | ATML3MBTL1CHRM2KDM4EALDH1A1 | |
| SCHEMBL13996926 | 0.75 | P2RX7 (0.42) | ADRB2ADRB1ATMALDH1A1POLB | |
| SCHEMBL19099380 | 0.75 | GRIN2B (0.43) | ADRB2ADRB1ADRB3SCN8AATM | |
| SCHEMBL726216 | 0.74 | KDM4E (0.46) | SCN8AATMKDM4EALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |