Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 7/20 | 0.59 |
| ▸ | MTNR1B | P49286 | 7/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | OPA1 | O60313 | 1/20 | 0.42 |
| ▸ | EIF5B | O60841 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | HMOX2 | P30519 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2260100 | 0.84 | MTNR1A (0.49) | MTNR1AMTNR1BHTR2AHTR2CHSD17B10 | |
| SCHEMBL13087729 | 0.79 | MTNR1A (0.50) | MTNR1AMTNR1BHTR2AHTR2CHSD17B10 | |
| SCHEMBL2020434 | 0.79 | MTNR1A (0.59) | MTNR1AMTNR1BHTR2AHTR2CHSD17B10 | |
| SCHEMBL2024854 | 0.78 | MTNR1A (0.56) | MTNR1AMTNR1BHTR2AHTR2CHSD17B10 | |
| SCHEMBL10100276 | 0.75 | HTR2A (0.59) | MTNR1AMTNR1BHTR2AHTR2CHSD17B10 | |
| SCHEMBL1395799 | 0.74 | HTR2A (0.52) | MTNR1AMTNR1BHTR2AHTR2CHSD17B10 | |
| SCHEMBL1395855 | 0.74 | HTR2A (0.55) | MTNR1AMTNR1BHTR2AHTR2CHSD17B10 | |
| SCHEMBL1719811 | 0.74 | MTNR1A (0.51) | MTNR1AMTNR1BHTR2AHTR2CHSD17B10 | |
| SCHEMBL3065255 | 0.74 | MTNR1A (0.53) | MTNR1AMTNR1B | |
| SCHEMBL3060070 | 0.74 | MTNR1A (0.53) | MTNR1AMTNR1B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009026446-A9 | HDAC INHIBITORS | ARQULE, INC. (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2009026446-A2 | HDAC INHIBITORS | ARQULE, INC. (US) | 2009-02-26 | — | — | WO | disclosed |
| CN-1312154-C | Purine derivatives as kinase inhibitors | LILLY CO ELI (US) | 2007-04-25 | — | — | CN | disclosed |
| CN-1639165-A | Purine derivatives as kinase inhibitors | LILLY CO ELI (US) | 2005-07-13 | — | — | CN | disclosed |