Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.44 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4002430 | 0.88 | ALDH1A1 (0.51) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL502340 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL10340437 | 0.80 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL16975448 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL6596247 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL2060269 | 0.79 | LMNA (0.38) | ALDH1A1TSHRTDP1CYP3A4ALOX15 | |
| SCHEMBL4000816 | 0.78 | ALDH1A1 (0.45) | ALDH1A1TSHRTDP1VCAM1HSD17B10 | |
| SCHEMBL4001556 | 0.78 | HSD17B10 (0.51) | ALDH1A1TDP1PDE4BPDE4DPDE7A | |
| SCHEMBL10175659 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1CYP3A4PDE2A | |
| SCHEMBL14768876 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRTDP1CYP3A4PDE2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106132406-A | β substituted γ aminoacid and analog as chemotherapeutics | 夸德里加生物科学公司 | 2016-11-16 | — | — | CN | disclosed |