Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.65 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | PLAU | P00749 | 5/20 | 0.61 |
| ▸ | SLC22A2 | O15244 | 6/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | NOS3 | P29474 | 3/20 | 0.52 |
| ▸ | NOS1 | P29475 | 3/20 | 0.52 |
| ▸ | NOS2 | P35228 | 2/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 5/20 | 0.50 |
| ▸ | SLC22A3 | O75751 | 5/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL6033181 | 0.88 | PLAU (0.54) | ADRA2AADRA2BADRA2CPOLBPLAU | |
| SCHEMBL25147342 | 0.83 | PLAU (0.73) | ADRA2AADRA2BADRA2CPOLBPLAU | |
| SCHEMBL27685590 | 0.82 | ADRA2A (0.71) | ADRA2AADRA2BADRA2CPOLBPLAU | |
| SCHEMBL5447808 | 0.78 | PLAU (0.66) | ADRA2AADRA2BADRA2CPOLBPLAU | |
| SCHEMBL3754183 | 0.77 | NOS3 (0.72) | ADRA2AADRA2BADRA2CPOLBPLAU | |
| SCHEMBL20574225 | 0.77 | CA2 (0.56) | CA12CA1CA2CA9NOS3 | |
| SCHEMBL20574224 | 0.77 | CA2 (0.56) | CA12CA1CA2CA9NOS3 | |
| SCHEMBL27886593 | 0.76 | NOS1 (0.57) | PLAUSLC22A2NOS3NOS1NOS2 | |
| SCHEMBL16562419 | 0.76 | PLAU (1.00) | ADRA2AADRA2BADRA2CPOLBPLAU | |
| SCHEMBL40656 | 0.75 | CA2 (0.77) | ADRA2ACA12CA1CA2CA9 |
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-2379506-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS | ArQule, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010078421-A1 | SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | WO | disclosed |