Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 6/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | HTR2B | P41595 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR1E | P28566 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23249318 | 0.77 | CYP2A6 (0.43) | CYP2A6HTR2AHTR2CHTR2BIMPDH2 | |
| SCHEMBL2648757 | 0.75 | ALDH1A1 (0.66) | CYP2A6IMPDH2GPR84GAAKDM4E | |
| SCHEMBL29952428 | 0.73 | CYP2A6 (0.70) | CYP2A6IMPDH2HTR1DHTR1BKDM4E | |
| SCHEMBL3260214 | 0.72 | CYP2A6 (0.51) | CYP2A6HTR2AHTR2CHTR2BSLC6A4 | |
| SCHEMBL29952017 | 0.70 | CYP2A6 (0.60) | CYP2A6HTR2AIMPDH2HTR1AHTR1D | |
| SCHEMBL28966319 | 0.70 | KMT2A (0.59) | CYP2A6HTR2AHTR2CHTR2BSLC6A4 | |
| SCHEMBL15672105 | 0.69 | CYP2A6 (0.54) | CYP2A6HTR2AHTR2CHTR2BIMPDH2 | |
| SCHEMBL7327866 | 0.69 | CYP2A6 (0.54) | CYP2A6SLC6A4IMPDH2GPR84MEN1 | |
| SCHEMBL29951403 | 0.69 | CYP2A6 (0.54) | CYP2A6SLC6A4IMPDH2GPR84MEN1 | |
| SCHEMBL31279438 | 0.69 | CYP2A6 (0.54) | CYP2A6HTR2AIMPDH2GPR84KDM4E |
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-102603581-B | PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON INC | 2015-06-24 | — | — | CN | disclosed |