Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7913469 | 0.77 | LMNA (0.48) | LMNATSHRCYP1A2CYP2C19ADORA3 | |
| SCHEMBL21709174 | 0.74 | KDM4E (0.33) | LMNAALDH1A1ACHEKDM4ENFKB1 | |
| SCHEMBL7919815 | 0.72 | NFKB1 (0.52) | LMNATSHRCYP1A2CYP2C19ADORA3 | |
| SCHEMBL11429666 | 0.71 | CA12 (0.46) | LMNATSHRCYP2C19SLC22A3ALDH1A1 | |
| SCHEMBL31376296 | 0.71 | PPARG (0.53) | LMNATSHRCYP1A2CYP2C19SLC22A3 | |
| SCHEMBL27983345 | 0.71 | PPARG (0.53) | LMNATSHRCYP1A2CYP2C19SLC22A3 | |
| SCHEMBL27983620 | 0.71 | PPARG (0.53) | LMNATSHRCYP1A2CYP2C19SLC22A3 | |
| SCHEMBL27983181 | 0.71 | PPARG (0.53) | LMNATSHRCYP1A2CYP2C19SLC22A3 | |
| SCHEMBL11818791 | 0.70 | KMT2A (0.52) | ALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL29511863 | 0.69 | HIF1A (0.58) | LMNATSHRCYP1A2ADORA3ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020032080-A1 | COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND | 学校法人慶應義塾 | 2020-02-13 | — | — | WO | disclosed |