Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 4/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9225959 | 0.87 | PDK1 (0.46) | ADRB2ADRB1ADRB3HTR2BGRM2 | |
| SCHEMBL9225971 | 0.87 | PDK1 (0.46) | ADRB2ADRB1ADRB3HTR2BGRM2 | |
| SCHEMBL11294415 | 0.82 | GRM2 (0.43) | HTR2BGRM2 | |
| SCHEMBL11067676 | 0.81 | GRM2 (0.39) | HTR2BGRM2 | |
| SCHEMBL11060976 | 0.81 | GRM2 (0.43) | HTR2BGRM2 | |
| SCHEMBL11067481 | 0.80 | GRM2 (0.38) | HTR2BGRM2 | |
| SCHEMBL11071828 | 0.80 | HTR2B (0.37) | HTR2BGRM2 | |
| SCHEMBL11061015 | 0.78 | CACNA2D1 (0.38) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL11067679 | 0.78 | CACNA2D1 (0.38) | CASP1CASP3CASP7CASP6CASP8 | |
| SCHEMBL11071694 | 0.78 | PARP1 (0.44) | HTR2BGRM2RAB9AROCK2ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4473501-A | HYPOTENSIVES | G. D. SEARLE & CO. (US) | 1984-09-25 | — | — | US | disclosed |
| EP-0064294-A1 | 1,5-Substituted isoquinoline derivatives | G.D. Searle & Co. (US) | 1982-11-10 | — | — | EP | disclosed |