Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.55 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.55 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.55 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26986579 | 1.00 | ALDH1A1 (0.55) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL1752957 | 0.84 | ALDH1A1 (0.55) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL26986682 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2GAAHPGD | |
| SCHEMBL30712643 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4ESMN1; SMN2GAAHPGD | |
| SCHEMBL28241571 | 0.76 | GABRA1 (0.50) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL2830890 | 0.76 | ALDH1A1 (0.53) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL5223497 | 0.75 | SMN1; SMN2 (0.54) | ALDH1A1KDM4ESMN1; SMN2MAPTGAA | |
| Cyclopropane SCHEMBL11658000 | 0.75 | ALDH1A1 (0.48) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL13188224 | 0.74 | GRM2 (0.55) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL18115629 | 0.73 | GABRG2 (0.58) | ALDH1A1GABRA1GABRG2GABRB3GABRA3 |
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-2024009283-A1 | AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2024-01-11 | — | — | WO | disclosed |