Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | LATS1 | O95835 | 1/20 | 0.31 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL464755 | 0.83 | — | — | |
| Water SCHEMBL29262049 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL873558 | 0.80 | — | — | |
| SCHEMBL14279027 | 0.64 | FDPS (0.53) | KDM6BKDM4CAKT1AAK1ESR1 | |
| Pyrazine SCHEMBL28087354 | 0.63 | TDP1 (0.62) | ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL5478947 | 0.61 | — | — | |
| Pyrazine SCHEMBL29274086 | 0.61 | ALDH1A1 (0.33) | ALDH1A1KDM4ESMN1; SMN2CYP2C19LMNA | |
| Pyrazine SCHEMBL8832091 | 0.61 | — | — | |
| Pyrazine SCHEMBL4081041 | 0.60 | — | — | |
| Pyrazine SCHEMBL8936652 | 0.60 | TSHR (0.50) | ALDH1A1 |
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-2001014346-A1 | MACROCYCLIC COMPOUNDS AND PREPARATION METHODS THEREOF | ISIS PHARMACEUTICALS, INC. (US) | 2001-03-01 | — | — | WO | disclosed |