Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | NCF1 | P14598 | 2/20 | 0.39 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | KHK | P50053 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.36 |
| ▸ | HTR3B | O95264 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4337043 | 0.82 | HTR7 (0.50) | HTR1AHTR7DRD2DRD3HTR2C | |
| SCHEMBL4323521 | 0.82 | AOC3 (0.54) | CYP1A2CYP3A4CYP2C19AOC3 | |
| SCHEMBL4321563 | 0.81 | ACHE (0.48) | ADRB1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4321540 | 0.81 | AOC3 (0.53) | HRH4PLD1NTRK1HTR2CADRB1 | |
| SCHEMBL4321625 | 0.79 | SIGMAR1 (0.46) | ADRB2NCF1PLD1HTR2CHTR3E | |
| SCHEMBL4338448 | 0.78 | AOC3 (0.53) | AOC3 | |
| SCHEMBL4327893 | 0.77 | NTRK1 (0.39) | PLD1HTR1AHTR7DRD3NTRK1 | |
| SCHEMBL4328122 | 0.76 | HRH4 (0.47) | HRH4PLD1HTR1AHTR7HTR2C | |
| SCHEMBL4323528 | 0.76 | TAAR1 (0.58) | HTR2CTP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4320156 | 0.76 | SLC6A4 (0.46) | PLD1HTR1AHTR7HTR2CHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | claimed |
| WO-2009145360-A1 | BENZENE OR THIOPHENE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR | R-TECH UENO, LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |