Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 9/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL11212845 | 0.95 | MTNR1A (0.49) | MTNR1AMTNR1BCA1CA2CA12 | |
| SCHEMBL11232532 | 0.85 | MTNR1A (0.57) | MTNR1AMTNR1BCA1CA2CA12 | |
| SCHEMBL2205376 | 0.83 | EPHX2 (0.47) | MTNR1AMTNR1B | |
| SCHEMBL24263104 | 0.79 | MTNR1A (0.50) | MTNR1AMTNR1BCA1CA2CA12 | |
| SCHEMBL11275699 | 0.76 | MTNR1A (0.66) | MTNR1AMTNR1BCA1CA2CA12 | |
| SCHEMBL13787618 | 0.73 | TOP2A (0.37) | MTNR1AMTNR1B | |
| SCHEMBL16082811 | 0.72 | MTNR1A (0.52) | MTNR1AMTNR1BCA1CA2CA12 | |
| SCHEMBL5053490 | 0.72 | MTNR1A (0.64) | MTNR1AMTNR1BCA1CA2ACHE | |
| SCHEMBL5053493 | 0.72 | MTNR1A (0.64) | MTNR1AMTNR1BCA1CA2ACHE | |
| SCHEMBL12432084 | 0.72 | PDK1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014145512-A2 | POTENT SMALL MOLECULE INHIBITORS OF AUTOPHAGY, AND METHODS OF USE THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-09-18 | — | — | WO | disclosed |
| EP-0013789-B1 | AMINO-SUBSTITUTED 4,5,6,7-TETRAHYDRO-1H (OR 2H)-INDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ELI LILLY AND COMPANY (US) | 1983-02-02 | — | — | EP | disclosed |
| EP-0013789-A1 | Amino-substituted 4,5,6,7-tetrahydro-1H (or 2H)-indazoles, their preparation and pharmaceutical compositions containing them | ELI LILLY AND COMPANY (US) | 1980-08-06 | — | — | EP | disclosed |