Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8811762 | 0.91 | MTNR1A (0.43) | CYP1A2MTNR1ASLC6A2SLC6A4GPR84 | |
| SCHEMBL8809778 | 0.88 | TAAR1 (0.50) | TAAR1CYP1A2SLC6A2SLC6A4CYP2C9 | |
| SCHEMBL9800436 | 0.74 | CYP1A2 (0.58) | CYP1A2MTNR1ASLC6A2SLC6A4GPR84 | |
| SCHEMBL1611571 | 0.72 | GPR84 (0.44) | CYP1A2MTNR1ASLC6A2SLC6A4GPR84 | |
| SCHEMBL3225205 | 0.72 | MTNR1A (0.45) | CYP1A2MTNR1AGPR84SIGMAR1CYP2C9 | |
| SCHEMBL3220289 | 0.71 | MTNR1A (0.44) | CYP1A2MTNR1AGPR84SIGMAR1CYP2C9 | |
| SCHEMBL1612033 | 0.71 | GPR84 (0.43) | CYP1A2MTNR1ASLC6A2SLC6A4GPR84 | |
| SCHEMBL11842602 | 0.71 | MTNR1A (0.44) | CYP1A2MTNR1AGPR84SIGMAR1CYP2C9 | |
| SCHEMBL1610299 | 0.71 | GPR84 (0.43) | CYP1A2MTNR1ASLC6A2SLC6A4GPR84 | |
| Hydrochloric Acid SCHEMBL10433751 | 0.71 | SIGMAR1 (0.44) | CYP1A2MTNR1ASLC6A2SLC6A4GPR84 |
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-0840725-A1 | AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1998-05-13 | — | — | EP | disclosed |