Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13151941 | 0.82 | ALDH1A1 (0.62) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL28181777 | 0.82 | TRPA1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL29645048 | 0.82 | CES1 (0.50) | ALDH1A1HPGDHTTSMN1; SMN2PLA2G2D | |
| SCHEMBL1199962 | 0.82 | CES1 (0.50) | ALDH1A1HPGDHTTSMN1; SMN2PLA2G2D | |
| Ethane SCHEMBL20186012 | 0.80 | CES1 (0.48) | ALDH1A1HPGDHTTSMN1; SMN2PLA2G2D | |
| SCHEMBL1758307 | 0.77 | KMT2A (0.78) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL29743740 | 0.75 | ALDH1A1 (0.69) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| Hydroxytoluic Acid SCHEMBL8352264 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL20853594 | 0.75 | ALDH1A1 (0.69) | ALDH1A1KDM4EHPGDHSD17B10HTT | |
| SCHEMBL2051695 | 0.75 | ALDH1A1 (0.69) | ALDH1A1KDM4EHPGDHSD17B10HTT |
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-5498722-A | HYPOTENSIVES | GLAXO GROUP (GB) | 1996-03-12 | — | — | US | disclosed |