Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4334443 | 0.85 | ALDH1A1 (0.55) | ALDH1A1GAAHTR2CTLR8SMN1; SMN2 | |
| SCHEMBL4654255 | 0.78 | DRD1 (0.48) | ALDH1A1GAASMN1; SMN2PDE4APDE4B | |
| SCHEMBL1446334 | 0.78 | LMNA (0.61) | ALDH1A1GAAHTR2CSMN1; SMN2AGTR1 | |
| SCHEMBL5080663 | 0.78 | ALOX15 (0.56) | ALDH1A1GAAHTR2CTLR8AGTR1 | |
| SCHEMBL23813151 | 0.77 | ALDH1A1 (0.48) | ALDH1A1GAATLR8SMN1; SMN2LMNA | |
| SCHEMBL11128590 | 0.76 | GAA (0.47) | ALDH1A1GAAHTR2CTLR8SMN1; SMN2 | |
| SCHEMBL28648942 | 0.76 | GAA (0.47) | ALDH1A1GAAHTR2CTLR8SMN1; SMN2 | |
| SCHEMBL10314839 | 0.76 | L3MBTL1 (0.52) | ALDH1A1GAAHTR2CTLR8LMNA | |
| SCHEMBL14237685 | 0.74 | GAA (0.46) | ALDH1A1GAAHTR2CTLR8SMN1; SMN2 | |
| Ethylene SCHEMBL27839741 | 0.74 | ALOX15 (0.53) | ALDH1A1GAAHTR2CTLR8AGTR1 |
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-2021218997-A1 | SUBSTITUTED FIVE-MEMBERED AZA-RING COMPOUND AND USE THEREOF IN DRUG | 东莞市东阳光新药研发有限公司 | 2021-11-04 | — | — | WO | disclosed |