Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 13/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 13/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17600702 | 0.80 | L3MBTL1 (0.53) | L3MBTL1NTRK1CYP3A4CHRNB2CHRNB4 | |
| SCHEMBL17600703 | 0.80 | L3MBTL1 (0.53) | L3MBTL1NTRK1CYP3A4CHRNB2CHRNB4 | |
| SCHEMBL17600727 | 0.80 | PDK1 (0.48) | L3MBTL1NTRK1HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17600728 | 0.80 | PDK1 (0.48) | L3MBTL1NTRK1HCRTR1HCRTR2CYP3A4 | |
| Hydrochloric Acid SCHEMBL17600714 | 0.79 | PDK1 (0.47) | L3MBTL1HCRTR1HCRTR2CYP3A4PDK1 | |
| SCHEMBL28941055 | 0.76 | NTRK1 (0.41) | NTRK1PDK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28941108 | 0.76 | NTRK1 (0.41) | NTRK1PDK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28294291 | 0.76 | NTRK1 (0.41) | NTRK1PDK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL30589306 | 0.76 | SMN1; SMN2 (0.46) | HCRTR1HCRTR2CYP3A4PDK1ALDH1A1 | |
| SCHEMBL28941054 | 0.76 | SCN9A (0.40) | NTRK1HCRTR1HCRTR2PDK1SMN1; SMN2 |
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-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |