Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.52 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.48 |
| ▸ | HTR3B | O95264 | 4/20 | 0.48 |
| ▸ | HTR3A | P46098 | 4/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | HTR2C | P28335 | 4/20 | 0.48 |
| ▸ | HTR1A | P08908 | 3/20 | 0.48 |
| ▸ | HTR7 | P34969 | 3/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL656548 | 0.79 | KDM4E (0.48) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL654290 | 0.79 | ADRB1 (0.43) | ADRB1SLC6A4 | |
| SCHEMBL16825800 | 0.78 | MEN1 (0.46) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL5761993 | 0.75 | ADRB1 (0.64) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4928979 | 0.75 | ADRB1 (0.69) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4637204 | 0.75 | HTR3A (0.44) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1427865 | 0.74 | ACHE (0.43) | HTTMAPT | |
| Hydrochloric Acid SCHEMBL6501617 | 0.74 | ADRB1 (0.62) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL6414607 | 0.74 | ADRB1 (0.62) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL25493027 | 0.73 | ADRB1 (0.61) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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-2616469-A1 | INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE | Exelixis, Inc. (US) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012037226-A1 | INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |