Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 6/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL16037063 | 0.83 | DDB1 (0.41) | MTNR1AESR1ESR2SMYD3ADRA1A | |
| SCHEMBL29746175 | 0.83 | DDB1 (0.41) | MTNR1AESR1ESR2SMYD3ADRA1A | |
| SCHEMBL30124970 | 0.77 | ESR1 (0.51) | MTNR1AESR1ESR2SMYD3NPC1 | |
| SCHEMBL13784817 | 0.77 | ESR1 (0.51) | MTNR1AESR1ESR2SMYD3NPC1 | |
| SCHEMBL5051433 | 0.77 | ESR1 (0.51) | MTNR1AESR1ESR2SMYD3NPC1 | |
| SCHEMBL13306192 | 0.77 | ESR1 (0.51) | MTNR1AESR1ESR2SMYD3NPC1 | |
| SCHEMBL27733428 | 0.76 | NOS3 (0.41) | MTNR1AESR1ESR2SMYD3ADRA1A | |
| SCHEMBL16585796 | 0.76 | CHRNB2 (0.51) | GAAMAPT | |
| Hydrochloric Acid SCHEMBL30542604 | 0.75 | ESR1 (0.50) | MTNR1AESR1ESR2SMYD3NPC1 | |
| Hydrochloric Acid SCHEMBL26613448 | 0.75 | ESR1 (0.50) | MTNR1AESR1ESR2SMYD3NPC1 |
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-1848506-A2 | PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES | Attenuon, LLC (US) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006089298-A2 | PYRIMIDINE-FUSED DIAZEPINE DERIVATIVES AND INDOLE-FUSED PTERIDINES | ATTENUON, LLC (US) | 2006-08-24 | — | — | WO | disclosed |