Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.35 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3614670 | 0.83 | CYP2A6 (0.55) | GPR84CYP2A6HTR2AATMALDH1A1 | |
| SCHEMBL31663257 | 0.83 | CYP2A6 (0.55) | GPR84CYP2A6HTR2AATMALDH1A1 | |
| SCHEMBL28973447 | 0.80 | CYP2A6 (0.60) | GPR84CYP2A6HTR2ASLC6A4AHR | |
| SCHEMBL1224614 | 0.80 | GPR84 (0.64) | GPR84CYP2A6HTR2AATMALDH1A1 | |
| SCHEMBL30552280 | 0.80 | GPR84 (0.64) | GPR84CYP2A6HTR2AATMALDH1A1 | |
| SCHEMBL17308781 | 0.75 | GPR84 (0.58) | GPR84HTR2AATMSLC6A4FFAR1 | |
| SCHEMBL5924727 | 0.75 | GPR84 (0.58) | GPR84CYP2A6HTR2AATMFFAR1 | |
| SCHEMBL20905344 | 0.75 | CYP2A6 (0.46) | GPR84CYP2A6HTR2AALDH1A1SLC6A4 | |
| SCHEMBL1224297 | 0.75 | GPR84 (0.58) | GPR84HTR2AATMSLC6A4FFAR1 | |
| SCHEMBL4587369 | 0.75 | GPR84 (0.58) | GPR84CYP2A6SLC6A4AHRCLK1 |
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-2016144702-A1 | LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF | PHARMAKEA, INC. (US) | 2016-09-15 | — | — | WO | disclosed |