Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL7880996 | 0.90 | RAB9A (0.43) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL7883808 | 0.88 | GPR119 (0.44) | NPC1RAB9AMAPTGPR119CYP1A2 | |
| SCHEMBL7877288 | 0.87 | GPR119 (0.36) | ALDH1A1ACHEGPR119PRCP | |
| SCHEMBL7882208 | 0.84 | S1PR1 (0.35) | NPC1ALDH1A1KDM4EACHEGPR119 | |
| SCHEMBL7872792 | 0.84 | S1PR1 (0.35) | NPC1ALDH1A1KDM4EACHEGPR119 | |
| SCHEMBL7881575 | 0.83 | MAPT (0.36) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL505267 | 0.83 | GRM5 (0.44) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL10250592 | 0.81 | NPC1 (0.45) | NPC1RAB9AMAPTALDH1A1KDM4E | |
| SCHEMBL7877057 | 0.77 | GPR119 (0.43) | NPC1RAB9AMAPTGPR119CYP1A2 | |
| SCHEMBL506208 | 0.76 | NPC1 (0.39) | NPC1RAB9AMAPTALDH1A1KDM4E |
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-2010114971-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SEPRACOR INC. (US) | 2010-10-07 | — | — | WO | disclosed |