Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31686189 | 1.00 | ALDH1A1 (0.60) | ALDH1A1TSHRLOXL2TAAR1NOS2 | |
| SCHEMBL43251 | 0.89 | ALDH1A1 (0.47) | ALDH1A1TSHRLOXL2TAAR1LOX | |
| Hydrochloric Acid SCHEMBL7893804 | 0.87 | ALDH1A1 (0.45) | ALDH1A1TSHRLOXL2TAAR1LOX | |
| SCHEMBL12968186 | 0.84 | PGK1 (0.42) | ALDH1A1TSHRLOXL2TAAR1NOS2 | |
| SCHEMBL14088678 | 0.82 | ALDH1A1 (0.63) | ALDH1A1TSHRTAAR1NOS2PGK1 | |
| SCHEMBL10431191 | 0.81 | LOXL2 (0.50) | ALDH1A1TSHRLOXL2 | |
| SCHEMBL11434386 | 0.81 | LOXL2 (0.50) | ALDH1A1TSHRLOXL2 | |
| SCHEMBL23562 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TSHRNOS2PGK1PGK2 | |
| Hydrochloric Acid SCHEMBL10382120 | 0.78 | LOXL2 (0.48) | ALDH1A1TSHRLOXL2 | |
| SCHEMBL6741468 | 0.78 | ALDH1A1 (0.57) | ALDH1A1TSHRTAAR1NOS2PGK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3512860-B1 | NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT | LCB PHARMA INC (CA) | 2020-11-25 | — | — | EP | disclosed |