Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | ALDH5A1 | P51649 | 2/20 | 0.38 |
| ▸ | ABAT | P80404 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TACR2 | P21452 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7071774 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HPGDTDP1KDM4EFDPS | |
| SCHEMBL1422917 | 0.76 | ALDH1A1 (0.57) | ALDH1A1ALDH5A1ABATGAATSHR | |
| SCHEMBL11721524 | 0.74 | ALDH1A1 (0.68) | ALDH1A1ALDH5A1ABATGAATSHR | |
| SCHEMBL7073812 | 0.74 | ALDH5A1 (0.50) | ALDH1A1ALDH5A1ABATGAAHPGD | |
| SCHEMBL3464451 | 0.74 | FDPS (0.54) | ALDH1A1ALDH5A1ABATGAATSHR | |
| SCHEMBL7680291 | 0.71 | MAOA (0.53) | ALDH1A1TDP1TACR2 | |
| SCHEMBL3133543 | 0.71 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDTDP1KDM4E | |
| SCHEMBL20198556 | 0.70 | MEN1 (0.39) | ALDH1A1GAATSHRKDM4EMGAM | |
| SCHEMBL20198498 | 0.70 | MEN1 (0.39) | ALDH1A1GAATSHRKDM4EMGAM | |
| SCHEMBL4617044 | 0.70 | TSHR (0.44) | ALDH1A1GAATSHRHPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6495580-B1 | A BENZYLIDENE DERIVATIVE CONTAINING HETEROCYCLIC RING IS USEFUL AS PNEUMOVIRUS INHIBITOR | VIROPHARMA INCORPORATED | 2002-12-17 | — | — | US | disclosed |