Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.56 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 2/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.33 |
| ▸ | ABAT | P80404 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9798366 | 0.80 | ALDH3A1 (0.43) | ALDH3A1ALDH1A1ALDH1A3TDP1APP | |
| SCHEMBL12227994 | 0.79 | ALDH1A1 (0.55) | ALDH3A1ALDH1A1ALDH1A3HPGD | |
| SCHEMBL609500 | 0.78 | ALDH1A3 (0.63) | ALDH3A1ALDH1A1ALDH1A3KCNH2 | |
| SCHEMBL10438443 | 0.78 | ALDH1A3 (0.63) | ALDH3A1ALDH1A1ALDH1A3KCNH2 | |
| SCHEMBL9448811 | 0.78 | ALDH1A3 (0.63) | ALDH3A1ALDH1A1ALDH1A3KCNH2 | |
| SCHEMBL9875023 | 0.78 | ALDH1A3 (0.63) | ALDH3A1ALDH1A1ALDH1A3KCNH2 | |
| SCHEMBL1166127 | 0.78 | ALDH1A3 (0.63) | ALDH3A1ALDH1A1ALDH1A3KCNH2 | |
| SCHEMBL9442184 | 0.77 | ALDH3A1 (0.61) | ALDH3A1ALDH1A1ALDH1A3KCNH2 | |
| SCHEMBL9798957 | 0.77 | KCNH2 (0.47) | ALDH3A1ALDH1A1KCNH2APP | |
| SCHEMBL4003205 | 0.76 | ALDH1A1 (0.66) | ALDH3A1ALDH1A1ALDH1A3HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0411103-A1 | NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS | MERCK PATENT GmbH (DE) | 1991-02-06 | — | — | EP | disclosed |
| WO-1990009616-A1 | NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-23 | — | — | WO | disclosed |