Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4730657 | 0.93 | MAPT (0.35) | ALDH1A1HPGDLMNAPOLBTP53 | |
| SCHEMBL4729592 | 0.81 | PDGFRB (0.42) | ALDH1A1PDGFRBPDGFRASMN1; SMN2NPC1 | |
| SCHEMBL5511161 | 0.80 | MGAM (0.49) | ALDH1A1LMNAPOLBSMN1; SMN2NPC1 | |
| SCHEMBL4780927 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A1CYP1A2CYP2D6 | |
| SCHEMBL4731545 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A1CYP1A2CYP2D6 | |
| SCHEMBL4728653 | 0.77 | HPGDS (0.54) | — | |
| SCHEMBL4730340 | 0.73 | HPGD (0.41) | ALDH1A1HPGDTSHRLMNAPOLB | |
| SCHEMBL5553780 | 0.72 | MGAM (0.51) | ALDH1A1HPGDLMNATP53PDGFRB | |
| SCHEMBL5503638 | 0.71 | STAT3 (0.52) | ALDH1A1HPGDTSHRLMNAPOLB | |
| Hydrogen Sulfide SCHEMBL28775857 | 0.70 | MGAM (0.50) | ALDH1A1HPGDLMNATP53PDGFRB |
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-2008035049-A1 | ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2008-03-27 | — | — | WO | disclosed |