Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.46 |
| ▸ | RAB9A | P51151 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2830000 | 0.88 | NPC1 (0.47) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL2830984 | 0.87 | ALDH1A1 (0.50) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL2824772 | 0.86 | KMT2A (0.45) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL2829084 | 0.86 | HPGD (0.48) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL2825846 | 0.85 | KMT2A (0.46) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL2828853 | 0.83 | KMT2A (0.43) | NPC1RAB9AKMT2AMEN1KDM4E | |
| SCHEMBL2825247 | 0.82 | NPC1 (0.44) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL2828482 | 0.80 | NPC1 (0.50) | NPC1RAB9AKMT2AMEN1GAA | |
| SCHEMBL2830799 | 0.78 | ALDH1A1 (0.46) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL2827909 | 0.77 | MAPT (0.47) | NPC1RAB9AKMT2AMEN1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-1844044-B1 | THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-21 | — | — | EP | claimed |