Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1042523 | 0.84 | KDM4E (0.40) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL453493 | 0.83 | KDM4E (0.42) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL2633134 | 0.83 | CYP2A6 (0.48) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL507552 | 0.79 | KDM4E (0.42) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL17266360 | 0.79 | KDM4E (0.42) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL23171396 | 0.79 | MEN1 (0.43) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL4851284 | 0.79 | LOXL2 (0.48) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL450943 | 0.79 | KDM4E (0.42) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL6245066 | 0.79 | KDM4E (0.42) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA | |
| SCHEMBL450944 | 0.79 | NOTUM (0.45) | KDM4EALDH1A1L3MBTL1MBOAT4LMNA |
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-2016095205-A1 | HETEROARYL OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |