Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 11/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18594641 | 0.90 | HCRTR1 (0.42) | DPP4HCRTR1HCRTR2KMT2AOPRK1 | |
| SCHEMBL16114532 | 0.86 | KMT2A (0.48) | DPP4HCRTR1HCRTR2KMT2AHDAC3 | |
| SCHEMBL17071974 | 0.85 | HCRTR1 (0.44) | DPP4HCRTR1HCRTR2KMT2AOPRK1 | |
| SCHEMBL17069775 | 0.83 | HCRTR1 (0.47) | DPP4HCRTR1HCRTR2KMT2AHDAC3 | |
| SCHEMBL20169441 | 0.79 | HCRTR1 (0.40) | DPP4HCRTR1HCRTR2OPRK1 | |
| SCHEMBL17071987 | 0.77 | KMT2A (0.44) | DPP4HCRTR1HCRTR2KMT2AHDAC3 | |
| SCHEMBL10094748 | 0.75 | NPC1 (0.44) | DPP4KMT2AOPRK1 | |
| SCHEMBL18594655 | 0.74 | HCRTR1 (0.52) | HCRTR1HCRTR2KMT2AOPRK1HDAC6 | |
| SCHEMBL18163364 | 0.74 | HCRTR1 (0.42) | DPP4HCRTR1HCRTR2KMT2AOPRK1 | |
| SCHEMBL17069773 | 0.74 | HDAC4 (0.42) | HCRTR1HCRTR2KMT2AHDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9975876-B2 | 2-pyridyloxy-3-ester-4-ether orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2018-05-22 | — | — | US | disclosed |