Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | ALPG | P10696 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22728280 | 1.00 | SMN1; SMN2 (0.33) | SMN1; SMN2LMNAALDH1A1HPGDALPG | |
| SCHEMBL10245884 | 0.74 | AOC3 (0.40) | HPGDNPSR1TDP1CYP17A1AOC3 | |
| SCHEMBL22547666 | 0.74 | ESR1 (0.41) | HPGDTDP1CTSLCYP17A1AOC3 | |
| SCHEMBL22728387 | 0.71 | TRPA1 (0.35) | LMNAHPGDTDP1ESR1ESR2 | |
| SCHEMBL22728319 | 0.71 | TRPA1 (0.35) | LMNAHPGDTDP1ESR1ESR2 | |
| SCHEMBL8017502 | 0.69 | AOC3 (0.38) | LMNAALDH1A1HTTTDP1CYP17A1 | |
| SCHEMBL29061981 | 0.68 | KMT2A (0.46) | SMN1; SMN2LMNAALDH1A1HPGDALPG | |
| SCHEMBL953000 | 0.68 | KMT2A (0.46) | SMN1; SMN2LMNAALDH1A1HPGDALPG | |
| SCHEMBL5702230 | 0.68 | ALDH1A1 (0.33) | LMNAALDH1A1HPGDTDP1CYP17A1 | |
| SCHEMBL22728318 | 0.67 | — | — |
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-2020243027-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | SAGE THERAPEUTICS, INC. (US) | 2020-12-03 | — | — | WO | disclosed |