Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 5/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4837815 | 0.77 | HDAC1 (0.37) | DPP4MAOBHDAC1HDAC8 | |
| SCHEMBL12955394 | 0.77 | DPP4 (0.35) | DPP4MAOBHDAC1HDAC8 | |
| SCHEMBL8581473 | 0.77 | PSEN1 (0.38) | DPP4HTR2AHTR2CSLC6A4 | |
| SCHEMBL434184 | 0.77 | IDO1 (0.50) | MAOBHTR2AHTR2CSLC6A4 | |
| SCHEMBL900764 | 0.76 | DPP4 (0.42) | DPP4 | |
| SCHEMBL8508748 | 0.75 | TAAR1 (0.41) | HTR2CSLC6A4 | |
| SCHEMBL8508177 | 0.75 | TAAR1 (0.37) | — | |
| SCHEMBL22484240 | 0.74 | DPP4 (0.41) | DPP4HDAC1HDAC8 | |
| SCHEMBL28403160 | 0.74 | DPP4 (0.41) | DPP4HDAC1HDAC8 | |
| SCHEMBL28400680 | 0.74 | DPP4 (0.41) | DPP4HDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013065066-A1 | PROCESSES FOR PREPARING 4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6- DIHYDRO [L,2,41-TRIAZOLO[43-A]PYRAZIN-7(8H)-YL]-L-(2,4,5- TRIFLUOROPHENYL)BUTAN-2-AMINE | CADILA HEALTHCARE LIMITED (IN) | 2013-05-10 | — | — | WO | disclosed |