Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4372827 | 1.00 | CYP1A2 (0.50) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL2609291 | 0.83 | CYP1A2 (0.54) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL23535876 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL6638235 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL30134233 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL6638354 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL27508297 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL31748280 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2A6PDPK1PLAUNPC1 | |
| SCHEMBL3635950 | 0.79 | CYP2A6 (0.45) | CYP1A2CYP2A6HTR2AHTR2CIRAK4 | |
| SCHEMBL3633957 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP2A6NPC1RAB9AHTR2A |
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-104703979-B | Heterocyclic compounds and their use | 无限药品股份有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-105793255-B | Heterocyclic compounds and their use | 无限药品股份有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-106456628-A | Heterocyclic compounds for the treatment of PI 3K-gamma mediated disorders | 无限药品股份有限公司 | 2017-02-22 | — | — | CN | disclosed |