Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.52 |
| ▸ | SCN1A | P35498 | 1/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9700130 | 0.97 | ADRA2A (0.56) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL9700463 | 0.95 | ADRA2A (0.58) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL9700525 | 0.89 | HTR1A (0.47) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL9701561 | 0.88 | GAA (0.52) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL9701580 | 0.87 | HRH3 (0.50) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL9701391 | 0.87 | HTR1A (0.50) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL30124157 | 0.77 | ADRA2A (0.51) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL5582863 | 0.77 | MCHR1 (0.44) | HTR1AADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL8570483 | 0.76 | CASR (0.47) | HTR1AADRA2AADRA1ACASRNISCH | |
| SCHEMBL17150937 | 0.76 | CASR (0.50) | HTR1ADRD2CASRNISCH |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112820-A | Vision defects | STERLING DRUG INC. (US) | 1992-05-12 | — | — | US | disclosed |
| US-5109135-A | 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates | STERLING DRUG INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-5066803-A | Chemical intermediates for analgesics | STERLING DRUG INC. (US) | 1991-11-19 | — | — | US | disclosed |
| WO-1990007505-A1 | 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES | STERLING DRUG INC. (US) | 1990-07-12 | — | — | WO | disclosed |
| US-4939138-A | 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |