Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11110418 | 0.78 | NOTUM (0.31) | ALDH1A1 | |
| SCHEMBL11109699 | 0.77 | MTNR1A (0.34) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL11109702 | 0.77 | MTNR1A (0.34) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL11109697 | 0.77 | MTNR1A (0.34) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL11112840 | 0.71 | NOTUM (0.35) | ALDH1A1 | |
| SCHEMBL10681398 | 0.63 | ALDH1A1 (0.41) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL695898 | 0.59 | SMN1; SMN2 (0.59) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL696936 | 0.56 | MAOB (0.46) | ALDH1A1 | |
| SCHEMBL8312673 | 0.54 | CYP11B1 (0.36) | — | |
| SCHEMBL24614086 | 0.53 | CYP19A1 (0.51) | ALDH1A1MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0033767-B1 | INDOLOBENZOXAZINES, PROCESSES FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | MERCK & CO. INC. (US) | 1984-06-27 | — | — | EP | disclosed |
| EP-0033767-A1 | Indolobenzoxazines, processes for preparing and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1981-08-19 | — | — | EP | disclosed |
| US-4238486-A | TREATING HYPERTENSION AND PARKINSON*S DISEASE | MERCK & CO., INC. (US) | 1980-12-09 | — | — | US | disclosed |