Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 10/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.43 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4532457 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRCYP19A1HTTTP53 | |
| SCHEMBL6278023 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP19A1HTTTP53 | |
| SCHEMBL28886071 | 0.83 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP19A1HTTTP53 | |
| SCHEMBL12427118 | 0.81 | ALDH1A1 (0.51) | ALDH1A1CYP19A1HTTTP53 | |
| SCHEMBL6890955 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP19A1HTTTP53 | |
| SCHEMBL27493611 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CYP19A1HTTTP53MAPT | |
| SCHEMBL792517 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP19A1HTTTP53MAPT | |
| SCHEMBL11819145 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP19A1HTTTP53 | |
| SCHEMBL6681084 | 0.77 | POLB (0.52) | ALDH1A1TSHRHTTCYP3A4MEN1 | |
| SCHEMBL29796062 | 0.77 | ALDH1A1 (0.60) | ALDH1A1TSHRCYP19A1HTTPDE2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4455311-A | Imidazoquinazoline derivatives which inhibit the aggregation of blood platelets, inhibit gastric secretion or have activity on the circulatory system | HOFFMANN-LA ROCHE INC. (US) | 1984-06-19 | — | — | US | disclosed |
| EP-0073060-A1 | Imidazoquinazoline derivatives, their preparation and medicaments containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-03-02 | — | — | EP | disclosed |