Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7882208 | 1.00 | S1PR1 (0.35) | S1PR1S1PR3S1PR5GPR119NPC1 | |
| SCHEMBL7877288 | 0.89 | GPR119 (0.36) | GPR119PRCPACHEALDH1A1 | |
| SCHEMBL7883808 | 0.88 | GPR119 (0.44) | GPR119NPC1PRCPCYP1A2CYP2C19 | |
| SCHEMBL7879696 | 0.84 | NPC1 (0.35) | S1PR5GPR119NPC1PRCPACHE | |
| SCHEMBL505373 | 0.83 | GRM5 (0.44) | S1PR1S1PR3S1PR5NPC1BCHE | |
| SCHEMBL7880996 | 0.78 | RAB9A (0.43) | GPR119NPC1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL7877057 | 0.77 | GPR119 (0.43) | S1PR5GPR119NPC1PRCPCYP1A2 | |
| SCHEMBL505639 | 0.76 | NPC1 (0.39) | S1PR1S1PR3S1PR5NPC1TRPV1 | |
| SCHEMBL7880734 | 0.72 | GRM5 (0.36) | GPR119PRCPACHE | |
| SCHEMBL505982 | 0.72 | GRM5 (0.46) | GPR119PRCPACHEKDM4EALDH1A1 |
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 |