Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.67 |
| ▸ | RAB9A | P51151 | 6/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | GRM5 | P41594 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | GCK | P35557 | 3/20 | 0.55 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31027184 | 1.00 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL21221226 | 0.80 | GCK (0.72) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL29236190 | 0.77 | GRM5 (0.54) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL30300029 | 0.77 | GRM5 (0.54) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL1794196 | 0.77 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL1487938 | 0.77 | GRM5 (1.00) | GRM5CYP3A4DRD3SLC6A3GCK | |
| SCHEMBL30357434 | 0.77 | GRM5 (1.00) | GRM5CYP3A4DRD3SLC6A3GCK | |
| SCHEMBL1979922 | 0.76 | GRM5 (1.00) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL31027175 | 0.75 | MAPT (0.57) | NPC1RAB9ASMN1; SMN2KDM4EHTT | |
| SCHEMBL29236353 | 0.75 | MAPT (0.57) | NPC1RAB9ASMN1; SMN2KDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-118234718-A | Phenyl core compounds as MGLU5 negative allosteric modulators and methods of making and using the same | 范德比尔特大学 | 2024-06-21 | — | — | CN | disclosed |