Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL21298554 | 0.95 | NPY5R (0.53) | NPC1RAB9AGAANPY5RSMN1; SMN2 | |
| SCHEMBL23948708 | 0.92 | NPY5R (0.50) | NPC1RAB9AGAANPY5RSMN1; SMN2 | |
| SCHEMBL23132196 | 0.89 | NPY5R (0.49) | NPC1RAB9AGAANPY5RSMN1; SMN2 | |
| SCHEMBL23120186 | 0.88 | NPY5R (0.46) | NPC1RAB9AGAANPY5RSMN1; SMN2 | |
| SCHEMBL29949115 | 0.88 | NPY5R (0.46) | NPC1RAB9AGAANPY5RSMN1; SMN2 | |
| SCHEMBL21890267 | 0.88 | NPC1 (0.49) | NPC1RAB9AGAANPY5RSMN1; SMN2 | |
| SCHEMBL21298160 | 0.88 | NPC1 (0.51) | NPC1RAB9AGAANPY5RSMN1; SMN2 | |
| SCHEMBL29240252 | 0.88 | SMN1; SMN2 (0.56) | NPC1RAB9AGAASMN1; SMN2HPGD | |
| SCHEMBL21890438 | 0.87 | NPC1 (0.48) | NPC1RAB9AGAANPY5RSMN1; SMN2 | |
| SCHEMBL23120210 | 0.87 | NPY5R (0.45) | NPC1RAB9AGAANPY5RSMN1; 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-2022117473-A1 | HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-06-09 | — | — | WO | disclosed |