Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 17/20 | 0.44 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL10215596 | 0.82 | ALDH1A1 (0.51) | ALDH1A1CYP1A2SMN1; SMN2AKT1 | |
| SCHEMBL2700153 | 0.82 | SMN1; SMN2 (0.59) | ALDH1A1CYP1A2SMN1; SMN2AKT1 | |
| SCHEMBL9680558 | 0.81 | EGFR (0.56) | ALDH1A1CYP1A2SMN1; SMN2AKT1 | |
| SCHEMBL2697706 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP1A2SMN1; SMN2AKT1 | |
| SCHEMBL9431569 | 0.81 | ALDH1A1 (0.57) | ALDH1A1CYP1A2SMN1; SMN2AKT1 | |
| SCHEMBL2700690 | 0.79 | AKT1 (0.52) | ALDH1A1AKT1 | |
| SCHEMBL2700613 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2AKT1 | |
| SCHEMBL2699187 | 0.79 | AKT1 (0.48) | ALDH1A1AKT1 | |
| SCHEMBL11486350 | 0.75 | ALDH1A1 (0.55) | ALDH1A1CYP1A2SMN1; SMN2AKT1 | |
| SCHEMBL8936630 | 0.75 | TP53 (0.51) | — |
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-5087625-A | Pyridodiazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1992-02-11 | — | — | US | disclosed |