Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 1/20 | 0.46 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9437459 | 0.82 | ALDH1A1 (0.48) | DRD2DRD4DRD3NR3C1SMN1; SMN2 | |
| SCHEMBL9437458 | 0.82 | ALDH1A1 (0.48) | DRD2DRD4DRD3NR3C1SMN1; SMN2 | |
| SCHEMBL31689432 | 0.81 | NOS3 (0.61) | NR3C1SMN1; SMN2NOS3NOS1NOS2 | |
| SCHEMBL2367201 | 0.80 | RAB9A (0.47) | TOP2ATOP2BRAB9ANOS3NOS1 | |
| SCHEMBL3985411 | 0.79 | SLC7A5 (0.56) | ALDH1A1SLC7A5 | |
| SCHEMBL7330756 | 0.77 | ITGB3 (0.57) | ALDH1A1TACR1 | |
| SCHEMBL7330763 | 0.77 | ITGB3 (0.57) | ALDH1A1TACR1 | |
| SCHEMBL13542850 | 0.76 | TOP2A (0.57) | TOP2ATOP2BRAB9ADRD2DRD4 | |
| SCHEMBL28391235 | 0.76 | SLC7A5 (0.57) | ALDH1A1SLC7A5 | |
| SCHEMBL10694411 | 0.76 | SLC7A5 (0.57) | ALDH1A1SLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0658169-A1 | DIAMINO ACID DERIVATIVES AS ANTIHYPERTENSIVES | SCHERING CORPORATION (US) | 1995-06-21 | — | — | EP | disclosed |