Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 7/20 | 0.52 |
| ▸ | PGR | P06401 | 4/20 | 0.52 |
| ▸ | PPARG | P37231 | 3/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.49 |
| ▸ | SLC22A8 | Q8TCC7 | 2/20 | 0.49 |
| ▸ | SLC22A11 | Q9NSA0 | 2/20 | 0.49 |
| ▸ | ALB | P02768 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 1/20 | 0.44 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.44 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9781665 | 0.91 | NR1I2 (0.54) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL9781671 | 0.91 | NR1I2 (0.54) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL14885179 | 0.90 | NR1I2 (0.55) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL16156786 | 0.90 | NR1I2 (0.55) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL15100214 | 0.90 | NR1I2 (0.55) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL14409663 | 0.90 | NR1I2 (0.55) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL17897732 | 0.90 | NR1I2 (0.55) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL24263657 | 0.89 | NR1I2 (0.54) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL17424986 | 0.87 | NR1I2 (0.68) | NR1I2PGRPPARGESR1HTR2C | |
| SCHEMBL10850224 | 0.87 | NR1I2 (0.63) | NR1I2PGRPPARGESR1HTR2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2341053-B1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO (JP) | 2016-01-13 | — | — | EP | disclosed |