Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.48 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL9824013 | 0.88 | ADRB2 (0.46) | ADRB2ADRB1ADRB3NR1I2NR3C1 | |
| SCHEMBL9823586 | 0.80 | SMN1; SMN2 (0.40) | HMOX1SMN1; SMN2S1PR1MAPT | |
| SCHEMBL9823712 | 0.80 | IDO1 (0.45) | ADRB2ADRB1ADRB3NR1I2NR3C1 | |
| SCHEMBL9823877 | 0.74 | ADRB2 (0.45) | ADRB2ADRB1ADRB3HMOX1NR1I2 | |
| SCHEMBL9823802 | 0.68 | KMT2A (0.44) | SMN1; SMN2CYP3A4CYP2C9MAPT | |
| SCHEMBL16150998 | 0.66 | PTGDR2 (0.53) | CNR1HTR2AHTR2CSLC6A4HTR2B | |
| SCHEMBL17040592 | 0.66 | TSHR (0.53) | ADRB1ADRB3HTR2AHTR2CHTR2B | |
| SCHEMBL4286867 | 0.65 | KCNMA1 (0.52) | ADRB2ADRB1ADRB3CYP3A4CYP2C9 | |
| SCHEMBL16953749 | 0.65 | RORC (0.44) | HMOX1ADORA3HTR2AHTR2CHTR2B | |
| SCHEMBL2452474 | 0.65 | ADRB2 (0.46) | ADRB2ADRB1ADRB3NR1I2NR3C1 |
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-0227100-B1 | N-VINYLIMIDAZOLES AND -TRIAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1991-04-03 | — | — | EP | claimed |
| EP-0227100-B1 | N-VINYLIMIDAZOLES AND -TRIAZOLES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1991-04-03 | — | — | EP | disclosed |