Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7017835 | 0.89 | KCNN4 (0.35) | KCNN4ALDH1A1HPGDNPSR1HSD17B10 | |
| SCHEMBL8014316 | 0.81 | KCNN4 (0.35) | KCNN4ALDH1A1HPGDNPSR1HSD17B10 | |
| SCHEMBL29616448 | 0.61 | CNR2 (0.40) | ALDH1A1TACR1 | |
| SCHEMBL23148953 | 0.61 | CNR2 (0.40) | ALDH1A1TACR1 | |
| SCHEMBL7229895 | 0.61 | CYP1A1 (0.46) | ALDH1A1HPGDHTR7CYP1A2 | |
| SCHEMBL8674234 | 0.60 | PDE4A (0.38) | ALDH1A1NPSR1 | |
| SCHEMBL1373277 | 0.60 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL12050458 | 0.59 | ESR2 (0.53) | ALDH1A1HTR7 | |
| SCHEMBL31366931 | 0.59 | ESR2 (0.53) | ALDH1A1HTR7 | |
| SCHEMBL11152579 | 0.59 | TSHR (0.43) | ALDH1A1HPGDCYP1A2 |
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-5243054-A | Hypotensive agents, cardiovascular disorders or nervous system disorders | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-09-07 | — | — | US | disclosed |