Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 9/20 | 0.50 |
| ▸ | HTR1A | P08908 | 7/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.48 |
| ▸ | HTR3B | O95264 | 3/20 | 0.48 |
| ▸ | HTR3A | P46098 | 3/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | HTR2C | P28335 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL4328642 | 0.87 | PRMT6 (0.54) | DRD2DRD3SIGMAR1ALDH1A1MAPT | |
| SCHEMBL4321625 | 0.86 | SIGMAR1 (0.46) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4338448 | 0.84 | AOC3 (0.53) | — | |
| SCHEMBL4331617 | 0.83 | AGXT (0.55) | SIGMAR1HTR2B | |
| SCHEMBL4331027 | 0.82 | HRH4 (0.41) | HTR7HTR1ADRD2DRD3ADRB1 | |
| SCHEMBL28790869 | 0.81 | SIGMAR1 (0.51) | SIGMAR1HTR6SLC6A4 | |
| SCHEMBL4321540 | 0.79 | AOC3 (0.53) | ADRB1HTR2CHTR6 | |
| SCHEMBL2182852 | 0.78 | ADRB1 (0.59) | HTR7HTR1ADRD2DRD3ADRB1 | |
| SCHEMBL4323521 | 0.78 | AOC3 (0.54) | CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL27829456 | 0.78 | RORC (0.46) | CYP1A2CYP2D6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |