Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.37 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28941108 | 1.00 | NTRK1 (0.41) | NTRK1LRRK2ROCK2ROCK1MAPT | |
| SCHEMBL28941055 | 1.00 | NTRK1 (0.41) | NTRK1LRRK2ROCK2ROCK1MAPT | |
| SCHEMBL28872983 | 0.77 | SMN1; SMN2 (0.63) | MAPTCYP1A2CYP2C19SMN1; SMN2RAB9A | |
| SCHEMBL28941054 | 0.77 | SCN9A (0.40) | NTRK1LRRK2ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL28294290 | 0.77 | SCN9A (0.40) | NTRK1LRRK2ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL28941116 | 0.77 | SCN9A (0.40) | NTRK1LRRK2ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL28292565 | 0.76 | L3MBTL1 (0.49) | NTRK1SMN1; SMN2PDK1ALDH1A1 | |
| SCHEMBL28941104 | 0.74 | SCN9A (0.44) | LRRK2ROCK2SMN1; SMN2PDK1P4HTM | |
| SCHEMBL22341858 | 0.74 | SCN9A (0.44) | LRRK2ROCK2SMN1; SMN2PDK1P4HTM | |
| SCHEMBL22341860 | 0.74 | SCN9A (0.44) | LRRK2ROCK2SMN1; SMN2PDK1P4HTM |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | claimed |
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |