Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.40 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13652437 | 0.83 | ALDH1A3 (0.35) | ALDH1A1ALDH1A3DRD1DRD2DRD4 | |
| SCHEMBL13652592 | 0.76 | ALDH1A1 (0.46) | ALDH1A1ALDH1A3CYP2A6 | |
| SCHEMBL13652318 | 0.76 | RAB9A (0.46) | ALDH1A1ALDH1A3CYP2A6SMN1; SMN2TTR | |
| SCHEMBL5964273 | 0.75 | TRPA1 (0.46) | ALDH1A1ALDH1A3TRPA1KIF11 | |
| SCHEMBL320992 | 0.74 | TTR (0.50) | ALDH1A1TTRTSHR | |
| SCHEMBL24196919 | 0.73 | AKR1C3 (0.52) | ALDH1A1ALDH1A3SMN1; SMN2RXFP1TTR | |
| SCHEMBL17158372 | 0.73 | MYC (0.51) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL11837965 | 0.73 | ESR2 (0.53) | ALDH1A1ALDH1A3DRD1PDE3BPDE3A | |
| SCHEMBL320454 | 0.71 | PDK2 (0.47) | EGFRKIF11TSHR | |
| SCHEMBL21753361 | 0.70 | ALDH1A1 (0.41) | ALDH1A1ALDH1A3PDE3BPDE3ACYP2A6 |
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-2009131090-A1 | AMINO ACID COMPOUND | 旭化成ファーマ株式会社 (JP) | 2009-10-29 | — | — | WO | disclosed |