Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 5/20 | 0.35 |
| ▸ | MAOB | P27338 | 5/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2014215 | 0.79 | MAOA (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2204712 | 0.75 | HTR2A (0.40) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL1968441 | 0.72 | BACE1 (0.43) | BACE1SLC6A4MAOAMAOBHTR2A | |
| SCHEMBL2201139 | 0.70 | HTR2A (0.44) | BACE1SLC6A2SLC6A3KCNH2MAOA | |
| SCHEMBL12596335 | 0.70 | SLC6A2 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL2372059 | 0.70 | — | — | |
| SCHEMBL2485448 | 0.70 | BACE1 (0.38) | BACE1MAOAMAOBTSHRLMNA | |
| SCHEMBL3558958 | 0.69 | SLC6A2 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL3558960 | 0.69 | SLC6A2 (0.39) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4978918 | 0.68 | TACR1 (0.35) | SLC6A2SLC6A4SLC6A3TSHRHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2379521-A1 | SULFAMIDES AS TRPM8 MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010080397-A1 | SULFAMIDES AS TRPM8 MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-07-15 | — | — | WO | disclosed |
| EP-2118110-A1 | CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS | Bristol-Myers Squibb Company (US) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008112851-A1 | CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-09-18 | — | — | WO | disclosed |