Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3852931 | 0.77 | NPC1 (0.60) | GRM5NPC1RAB9ACYP3A4FFAR2 | |
| SCHEMBL4187822 | 0.76 | GRM5 (0.51) | GRM5NPC1RAB9ACYP3A4FFAR2 | |
| SCHEMBL30761114 | 0.76 | GRM5 (0.49) | GRM5CYP3A4CYP1A2CYP2C9KCNH2 | |
| SCHEMBL31224325 | 0.75 | NPC1 (0.42) | NPC1RAB9ACYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL4858178 | 0.75 | F10 (0.57) | GRM5NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL30761121 | 0.75 | DYRK1A (0.46) | GRM5 | |
| SCHEMBL30761214 | 0.75 | NPC1 (0.59) | GRM5NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7904776 | 0.74 | GRM5 (0.72) | GRM5CYP3A4CYP1A2CYP2C9KCNH2 | |
| SCHEMBL18145934 | 0.74 | NPC1 (0.53) | GRM5NPC1RAB9ACYP3A4FFAR2 | |
| SCHEMBL18160436 | 0.74 | RAB9A (0.67) | GRM5NPC1RAB9AFFAR2SMN1; SMN2 |
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-2024059204-A1 | HETEROARYL ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | VANDERBILT UNIVERSITY (US) | 2024-03-21 | — | — | WO | disclosed |