Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | F13A1 | P00488 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | TGM1 | P22735 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL20323867 | 0.81 | HTR2C (0.45) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL20146346 | 0.81 | HTR2C (0.45) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL20146341 | 0.81 | HTR2C (0.44) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL20146348 | 0.80 | HTR2C (0.43) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL22039244 | 0.77 | HTR2C (0.40) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL20146347 | 0.75 | HTR2C (0.39) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL13805602 | 0.72 | MEN1 (0.48) | SMN1; SMN2NPC1RAB9AF13A1TGM2 | |
| SCHEMBL21538652 | 0.71 | HTR2C (0.41) | HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2 | |
| SCHEMBL1964365 | 0.70 | HTR2C (0.44) | HTR2CPDK1PDK2PDK3PDK4 | |
| SCHEMBL22235247 | 0.70 | SMN1; SMN2 (0.46) | HTR2CSMN1; SMN2NPC1RAB9AF13A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3321271-A1 | METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF | Japan Tobacco, Inc. (JP) | 2018-05-16 | — | — | EP | disclosed |