Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.40 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.40 |
| ▸ | GALR3 | O60755 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2167190 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| SCHEMBL16160715 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| SCHEMBL315271 | 0.81 | ALDH1A1 (0.74) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| SCHEMBL4780026 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| SCHEMBL2550445 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| SCHEMBL1960864 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| SCHEMBL16160712 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| Ammonia Solution, Strong SCHEMBL9807764 | 0.78 | ALDH1A1 (0.70) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| SCHEMBL1622071 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CHRM5CHRM1CHRM3TSHR | |
| SCHEMBL2168616 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CHRM5CHRM1CHRM3TSHR |
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-1292585-A1 | BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2003-03-19 | — | — | EP | disclosed |
| WO-2001098282-A1 | BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 2001-12-27 | — | — | WO | disclosed |