Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A5 | Q9Y345 | 6/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | THPO | P40225 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4049170 | 0.97 | MPO (0.39) | SLC6A5ABCB1CYP2D6LMNAADRB2 | |
| SCHEMBL4044662 | 0.92 | ABCB1 (0.39) | ABCB1CYP2D6LMNAADRB2ADRB1 | |
| SCHEMBL4036513 | 0.78 | RPS6KB1 (0.40) | ABCB1CYP2D6LMNAADRB2ADRB1 | |
| SCHEMBL4039140 | 0.77 | ABCB1 (0.47) | ABCB1CYP2D6LMNAADRB2ADRB1 | |
| SCHEMBL4047555 | 0.77 | SIRT1 (0.38) | SLC6A5CYP2D6LMNAADRB2ADRB1 | |
| SCHEMBL4045617 | 0.76 | ADRB1 (0.36) | ABCB1CYP2D6LMNAADRB2ADRB1 | |
| SCHEMBL11322428 | 0.75 | KDM4E (0.43) | CYP2D6LMNAADRB2ADRB1CYP1A2 | |
| SCHEMBL4044458 | 0.75 | ADRB2 (0.39) | ABCB1CYP2D6LMNAADRB2ADRB1 | |
| Methylamine SCHEMBL28758829 | 0.74 | SIGMAR1 (0.48) | SIGMAR1SMN1; SMN2ALDH1A1HPGDMEN1 | |
| SCHEMBL29410986 | 0.74 | BID (0.51) | SLC6A5LMNAADRB2ADRA1ASLC6A3 |
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-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |