Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14840535 | 0.98 | GRIN2B (0.41) | GRIN2BHTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16657600 | 0.84 | PROKR1 (0.49) | HTR2ASLC6A2SLC6A4SLC6A3HTR2C | |
| SCHEMBL28240932 | 0.83 | GRIN2B (0.43) | GRIN2BHTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL26081071 | 0.83 | KDM4E (0.47) | GRIN2BHTR2ASLC6A4SLC6A3TRPA1 | |
| SCHEMBL26081070 | 0.82 | SLC6A2 (0.41) | HTR2ASLC6A2SLC6A4SLC6A3TRPA1 | |
| SCHEMBL19030449 | 0.81 | GRIN2B (0.42) | GRIN2BHTR2ATRPA1IDO1AGXT | |
| SCHEMBL376860 | 0.80 | GRIN2B (0.40) | GRIN2BSLC6A2SLC6A4SLC6A3IDO1 | |
| Hydrochloric Acid SCHEMBL20138412 | 0.79 | GRIN2B (0.39) | GRIN2BSLC6A2SLC6A4SLC6A3IDO1 | |
| SCHEMBL22719277 | 0.77 | PROKR1 (0.39) | HTR2ASLC6A2SLC6A4SLC6A3IDO1 | |
| SCHEMBL1574254 | 0.76 | SLC6A2 (0.41) | GRIN2BSLC6A2SLC6A4SLC6A3TRPA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017108723-A2 | PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-29 | — | — | WO | disclosed |
| US-6359138-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-03-19 | — | — | US | disclosed |
| EP-0846683-B1 | 4-Hydroxy-piperidine derivatives | HOFFMANN LA ROCHE (CH) | 2001-09-19 | — | — | EP | disclosed |
| EP-0846683-A1 | 4-Hydroxy-piperidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1998-06-10 | — | — | EP | disclosed |