Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.45 |
| ▸ | RAB9A | P51151 | 8/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5958573 | 1.00 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1KCNH2 | |
| SCHEMBL6212796 | 0.93 | KCNH2 (0.44) | KCNH2 | |
| Hydrochloric Acid SCHEMBL5958619 | 0.84 | KCNH2 (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1KCNH2 | |
| SCHEMBL5958598 | 0.78 | KCNH2 (0.62) | SMN1; SMN2ALDH1A1KCNH2LMNAMEN1 | |
| SCHEMBL5958596 | 0.78 | KCNH2 (0.62) | SMN1; SMN2ALDH1A1KCNH2LMNAMEN1 | |
| SCHEMBL5958631 | 0.78 | KCNH2 (0.62) | SMN1; SMN2ALDH1A1KCNH2LMNAMEN1 | |
| SCHEMBL5958476 | 0.78 | MEN1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL6214845 | 0.78 | MEN1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL5958522 | 0.75 | KCNH2 (0.58) | NPC1RAB9ASMN1; SMN2ALDH1A1KCNH2 | |
| SCHEMBL5958344 | 0.75 | KCNH2 (0.62) | SMN1; SMN2ALDH1A1KCNH2TSHRLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1536790-A2 | OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | AstraZeneca AB (SE) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004014370-A2 | OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | ASTRAZENECA AB (SE) | 2004-02-19 | — | — | WO | disclosed |