Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26570939 | 0.84 | CES2 (0.52) | CES2CES1KDM4ELMNAL3MBTL1 | |
| SCHEMBL18087488 | 0.81 | CES2 (0.48) | CES2CES1KDM4ELMNAL3MBTL1 | |
| SCHEMBL3633578 | 0.81 | CES2 (0.54) | CES2CES1KDM4ELMNAL3MBTL1 | |
| SCHEMBL4144993 | 0.77 | — | — | |
| SCHEMBL11078493 | 0.77 | CES2 (0.58) | CES2CES1KDM4ELMNAL3MBTL1 | |
| SCHEMBL28782253 | 0.76 | CES2 (0.48) | CES2CES1KDM4ELMNAL3MBTL1 | |
| SCHEMBL23229581 | 0.75 | CES2 (0.42) | CES2CES1KDM4ELMNAL3MBTL1 | |
| SCHEMBL22606420 | 0.75 | KDM4E (0.50) | CES2CES1KDM4ELMNAL3MBTL1 | |
| SCHEMBL19413864 | 0.74 | CES2 (0.45) | CES2CES1KDM4ELMNAL3MBTL1 | |
| SCHEMBL1650571 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1485093-B1 | DI-ARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK SHARP & DOHME (US) | 2010-11-03 | — | — | EP | disclosed |