Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | NR5A2 | O00482 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8679558 | 0.93 | NR5A1 (0.42) | NR5A1NR5A2TDP1ALDH1A1MEN1 | |
| SCHEMBL8679556 | 0.93 | NR5A1 (0.42) | NR5A1NR5A2TDP1ALDH1A1MEN1 | |
| SCHEMBL10685439 | 0.81 | CYP1A2 (0.41) | NR5A1CYP1A2NR5A2NAAAMEN1 | |
| SCHEMBL10681185 | 0.80 | CYP1A2 (0.40) | NR5A1CYP1A2NR5A2SIGMAR1NAAA | |
| SCHEMBL10680931 | 0.80 | CYP1A2 (0.40) | NR5A1CYP1A2NR5A2SIGMAR1NAAA | |
| SCHEMBL10680143 | 0.79 | CYP1A2 (0.46) | NR5A1CYP1A2NR5A2LMNAMAPK1 | |
| SCHEMBL10676529 | 0.79 | CYP1A2 (0.38) | NR5A1CYP1A2NR5A2 | |
| SCHEMBL10680705 | 0.78 | CYP1A2 (0.37) | CYP1A2 | |
| SCHEMBL10681284 | 0.78 | CYP1A2 (0.41) | NR5A1CYP1A2NR5A2NAAAMEN1 | |
| SCHEMBL10680396 | 0.77 | CYP1A2 (0.40) | NR5A1CYP1A2NR5A2SIGMAR1NAAA |
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 |
|---|---|---|---|---|---|---|---|
| JP-10057095-A | — | — | None | — | — | JP | disclosed |
| JP-H1057095-A | RACEMIC RESOLUTION OF 3-ACYLOXY-BICYCLO(3.3.0)OCTANE-7-ONE-2-CARBOXYLIC ESTER WITH STEREOSPECIFIC ENZYME OR BY MICRO-ORGANIC ACYLATE HYDROLYSIS | SCHERING AG | 1998-03-03 | — | — | JP | disclosed |