Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.48 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14944491 | 0.95 | ALDH1A1 (0.62) | NAAAALDH1A1HTTTSHRCHRM5 | |
| Acetic Acid Butyl Ester SCHEMBL9081007 | 0.92 | NAAA (0.77) | NAAAALDH1A1HTTTSHRRAD52 | |
| Acetic Acid Pentyl Ester SCHEMBL21828458 | 0.92 | NAAA (0.77) | NAAAALDH1A1HTTTSHRRAD52 | |
| Acetic Acid Butyl Ester SCHEMBL21815463 | 0.91 | ALDH1A1 (0.78) | NAAAALDH1A1HTTTSHRCHRM5 | |
| SCHEMBL181842 | 0.90 | ALDH1A1 (0.58) | NAAAALDH1A1HTTTSHRCHRM5 | |
| SCHEMBL50185 | 0.90 | NAAA (0.81) | NAAAALDH1A1HTTTSHRGAA | |
| Hexyl Acetate SCHEMBL27910160 | 0.90 | NAAA (0.81) | NAAAALDH1A1HTTTSHRSMN1; SMN2 | |
| SCHEMBL12956536 | 0.87 | NAAA (0.86) | NAAAHTTTSHRRAD52NPSR1 | |
| SCHEMBL14472850 | 0.87 | NAAA (0.86) | NAAAHTTTSHRRAD52NPSR1 | |
| SCHEMBL3993048 | 0.87 | NAAA (0.86) | NAAAHTTTSHRRAD52NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4420478-A | ANTIBIOTICS, BACTERICIDES, CEPHALOSPORINS | ROUSSEL UCLAF (FR) | 1983-12-13 | — | — | US | claimed |
| US-20130122424-A1 | PHOTORESIST COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-05-16 | — | — | US | disclosed |