Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL11354414 | 0.91 | TSHR (0.50) | LMNAALDH1A1TSHRHSD17B10RAD52 | |
| SCHEMBL8652676 | 0.89 | LMNA (0.45) | LMNAALDH1A1TSHRRAD52L3MBTL1 | |
| Toluene SCHEMBL6619657 | 0.89 | ALDH1A1 (0.55) | LMNAALDH1A1TSHRHSD17B10RAD52 | |
| P-Xylene SCHEMBL8770845 | 0.89 | LMNA (0.48) | LMNAALDH1A1TSHRHSD17B10RAD52 | |
| P-Xylene SCHEMBL7256576 | 0.89 | ALDH1A1 (0.52) | LMNAALDH1A1TSHRHSD17B10L3MBTL1 | |
| P-Xylene SCHEMBL10412500 | 0.88 | ALDH1A1 (0.73) | LMNAALDH1A1TSHRHSD17B10RAD52 | |
| SCHEMBL2697602 | 0.88 | L3MBTL1 (0.59) | LMNAL3MBTL1SMN1; SMN2GAAMEN1 | |
| SCHEMBL16672630 | 0.86 | CTDSP1 (0.55) | LMNAALDH1A1RAD52L3MBTL1SMN1; SMN2 | |
| P-Xylene SCHEMBL2536913 | 0.85 | ALDH1A1 (0.70) | LMNAALDH1A1TSHRHSD17B10SMN1; SMN2 | |
| Acetic Acid Butyl Ester SCHEMBL3182016 | 0.85 | ALDH1A1 (0.72) | LMNAALDH1A1TSHRHSD17B10L3MBTL1 |
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-4283565-A | REACTING A BENZYL HALIDE WITH A FORMATE, CONTACTING WITH AN ALCOHOL TO TRANSESTERIFY | DYNAMIT NOBEL AG (DE) | 1981-08-11 | — | — | US | disclosed |