Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | FDPS | P14324 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27002006 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL27002045 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL11584615 | 0.81 | ALDH1A1 (0.48) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL7818774 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL27002026 | 0.78 | AR (0.43) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL27002173 | 0.77 | HTR2A (0.45) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL27002089 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL27002019 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL27002017 | 0.76 | ALDH1A1 (0.40) | ALDH1A1TSHRFDPSHPGDTDP1 | |
| SCHEMBL27002188 | 0.76 | HTR2A (0.44) | ALDH1A1TSHRFDPSHPGDTDP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0035624-B1 | ALDEHYDES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-07-04 | — | — | EP | claimed |
| EP-0035624-A2 | Aldehydes | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-09-16 | — | — | EP | claimed |
| EP-0035624-B1 | ALDEHYDES | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-07-04 | — | — | EP | disclosed |
| EP-0003212-B1 | 2.4-DIAMINO-5-BENZYLPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-03-17 | — | — | EP | disclosed |
| EP-0035624-A2 | Aldehydes | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-09-16 | — | — | EP | disclosed |
| EP-0003212-A1 | 2.4-Diamino-5-benzylpyrimidines, pharmaceutical compositions containing them and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-08-08 | — | — | EP | disclosed |