Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GALR3 | O60755 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.35 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL10897522 | 0.82 | ALDH1A1 (0.34) | GALR3ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL10895499 | 0.80 | ALDH1A1 (0.32) | GALR3ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL10895703 | 0.79 | ALDH1A1 (0.40) | GALR3ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL10897944 | 0.77 | ALDH1A1 (0.31) | GALR3ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL10894355 | 0.76 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL9500935 | 0.76 | ALDH1A1 (0.38) | GALR3ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL9149729 | 0.75 | LMNA (0.48) | ALDH1A1TSHRLMNA | |
| SCHEMBL14733092 | 0.74 | ALDH1A1 (0.39) | GALR3ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL3683181 | 0.71 | ALDH1A1 (0.44) | GALR3ALDH1A1CHRM5CHRM1CHRM3 | |
| SCHEMBL11069420 | 0.71 | LMNA (0.41) | ALDH1A1TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4546200-A | 2,2-Dinitrobutane-1,4-diol and monoesters | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1985-10-08 | — | — | US | disclosed |