Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30340914 | 1.00 | ALDH1A1 (0.58) | ALDH1A1THRBCTSSCTSKEGFR | |
| SCHEMBL26503173 | 1.00 | ALDH1A1 (0.58) | ALDH1A1THRBCTSSCTSKEGFR | |
| SCHEMBL13664872 | 0.86 | SMN1; SMN2 (0.45) | ALDH1A1THRBEGFRSMN1; SMN2CA2 | |
| SCHEMBL8971989 | 0.86 | TRPA1 (0.57) | CTSSCTSKEGFRTRPA1SMN1; SMN2 | |
| SCHEMBL29781738 | 0.84 | HPGD (0.53) | ALDH1A1CTSSCTSKEGFRTRPA1 | |
| SCHEMBL19236692 | 0.84 | HPGD (0.53) | ALDH1A1CTSSCTSKEGFRTRPA1 | |
| SCHEMBL20971614 | 0.84 | HPGD (0.53) | ALDH1A1CTSSCTSKEGFRTRPA1 | |
| SCHEMBL26814991 | 0.83 | CTSS (0.52) | ALDH1A1CTSSCTSKEGFRTRPA1 | |
| SCHEMBL13664813 | 0.82 | SMN1; SMN2 (0.69) | CTSSCTSKEGFRSMN1; SMN2CA2 | |
| SCHEMBL25371726 | 0.81 | ALDH1A1 (0.69) | ALDH1A1THRBSMN1; SMN2CA2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-116018337-A | Pseudomonas aeruginosa virulence factor LasB inhibitor | 亥姆霍兹感染研究中心有限公司 | 2023-04-25 | — | — | CN | disclosed |
| WO-2009119528-A1 | HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |