Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12204626 | 0.85 | SLC6A4 (0.40) | ALDH1A1SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL83839 | 0.76 | ALDH1A1 (0.58) | ALDH1A1CYP1A1CYP1A2CYP1B1SLC6A4 | |
| SCHEMBL409015 | 0.76 | HDAC3 (0.32) | — | |
| SCHEMBL26106467 | 0.73 | ALDH1A1 (0.55) | ALDH1A1CYP1A1CYP1A2CYP1B1SLC6A4 | |
| SCHEMBL998605 | 0.69 | — | — | |
| SCHEMBL11463411 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CYP1A1CYP1A2CYP1B1SLC6A4 | |
| SCHEMBL2986827 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1A2CYP1B1SLC6A4 | |
| SCHEMBL10300271 | 0.67 | ALDH1A1 (0.50) | ALDH1A1SLC6A4NOS3NOS1PLK1 | |
| SCHEMBL7033576 | 0.67 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1A2CYP1B1SLC6A4 | |
| SCHEMBL10528160 | 0.67 | ALDH1A1 (0.50) | ALDH1A1SLC6A4NOS3NOS1PLK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-2590953-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004604-A1 | TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Convergence Pharmaceuticals Limited (GB) | 2012-01-12 | — | — | WO | disclosed |