Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31027173 | 1.00 | AHR (0.47) | AHRSORT1NPC1RAB9ATP53 | |
| SCHEMBL31027174 | 1.00 | AHR (0.47) | AHRSORT1NPC1RAB9ATP53 | |
| SCHEMBL3851843 | 0.85 | NPC1 (0.57) | AHRSORT1NPC1RAB9ATP53 | |
| SCHEMBL29236313 | 0.79 | CYP3A4 (0.49) | AHRGRM5CYP1A2CYP3A4SLC6A3 | |
| SCHEMBL30300325 | 0.79 | CYP3A4 (0.49) | AHRGRM5CYP1A2CYP3A4SLC6A3 | |
| SCHEMBL3852931 | 0.77 | NPC1 (0.60) | AHRSORT1NPC1RAB9ATP53 | |
| SCHEMBL20177030 | 0.76 | KDM4E (0.64) | NPC1RAB9ATP53SMN1; SMN2KDM4E | |
| SCHEMBL21579395 | 0.76 | NPC1 (0.50) | NPC1RAB9ATP53KDM4EMAPK1 | |
| SCHEMBL29236270 | 0.75 | GRM5 (0.44) | AHRNPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL29236307 | 0.74 | AHR (0.47) | AHRNPC1RAB9AMAPK1GRM5 |
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 |