Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.62 |
| ▸ | HTR2B | P41595 | 2/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13451566 | 0.89 | HTR2A (0.70) | HTR2AHTR2BHTR2CSIGMAR1SLC6A4 | |
| SCHEMBL6814904 | 0.87 | HTR2A (0.46) | HTR2AHTR2BHTR2CTSHRMAPK1 | |
| SCHEMBL6811183 | 0.83 | HTR2A (0.42) | HTR2AHTR2BHTR2CTSHRMAPK1 | |
| SCHEMBL16727054 | 0.82 | HTR2A (0.62) | HTR2AHTR2BHTR2CSIGMAR1SLC6A4 | |
| SCHEMBL2793515 | 0.81 | IDO1 (0.41) | HTR2AHTR2BHTR2CTSHRMAPK1 | |
| SCHEMBL16215293 | 0.77 | HTR2A (0.40) | HTR2AHTR2BHTR2CTSHRMAPK1 | |
| SCHEMBL10959537 | 0.77 | IDO1 (0.44) | HTR2AHTR2BHTR2CTSHRMAPK1 | |
| SCHEMBL29467109 | 0.77 | IDO1 (0.44) | HTR2AHTR2BHTR2CTSHRMAPK1 | |
| SCHEMBL864911 | 0.77 | IDO1 (0.47) | HTR2AHTR2BHTR2CTSHRMAPK1 | |
| Nordexfenfluramine SCHEMBL4668266 | 0.76 | HTR2A (1.00) | HTR2AHTR2BHTR2CTSHRSIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957460-A1 | BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007067444-A1 | BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-06-14 | — | — | WO | disclosed |