Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 7/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1581213 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL730194 | 0.79 | ALDH1A1 (0.43) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL5312790 | 0.78 | BACE1 (0.42) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL649424 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL29164411 | 0.78 | CYP11B1 (0.45) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL1690733 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL2360518 | 0.78 | GABRA1 (0.50) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL1165354 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL2358436 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL2064639 | 0.78 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1GAAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |