Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL9823697 | 0.88 | ADRB2 (0.48) | ADRB2ADRB1ADRB3NR1I2NR3C1 | |
| SCHEMBL9823712 | 0.83 | IDO1 (0.45) | ADRB2ADRB1ADRB3KCNMA1NR1I2 | |
| SCHEMBL9823802 | 0.79 | KMT2A (0.44) | TSHRKCNMA1CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL4286867 | 0.78 | KCNMA1 (0.52) | ADRB2ADRB1ADRB3TSHRKCNMA1 | |
| SCHEMBL9824008 | 0.70 | CYP19A1 (0.41) | ADRB2ADRB1ADRB3KCNMA1ALDH1A1 | |
| SCHEMBL9823745 | 0.70 | CYP19A1 (0.41) | ADRB2ADRB1ADRB3KCNMA1ALDH1A1 | |
| SCHEMBL10504932 | 0.70 | CYP19A1 (0.44) | ADRB2ADRB1ADRB3TSHRCYP1A2 | |
| SCHEMBL10504929 | 0.70 | CYP19A1 (0.44) | ADRB2ADRB1ADRB3TSHRCYP1A2 | |
| SCHEMBL6103175 | 0.69 | POLB (0.66) | TSHRCYP1A2CYP2C19ALDH1A1KDM4E | |
| SCHEMBL9823586 | 0.68 | SMN1; SMN2 (0.40) | ALDH1A1MAPK1MEN1KMT2AHPGD |
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 |