Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2826464 | 0.89 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2MEN1MAPT | |
| SCHEMBL2829743 | 0.84 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2GRM4MEN1 | |
| SCHEMBL2824780 | 0.81 | ALDH1A1 (0.44) | NPC1RAB9ASMN1; SMN2GRM4MEN1 | |
| SCHEMBL2828556 | 0.81 | MAOB (0.46) | NPC1RAB9AGRM4MEN1MAPT | |
| SCHEMBL2828918 | 0.81 | GRM5 (0.44) | NPC1SMN1; SMN2GRM5CHRNB2CHRNA4 | |
| SCHEMBL2830126 | 0.80 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2GRM4MEN1 | |
| SCHEMBL2829458 | 0.78 | CHRNB2 (0.42) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2833374 | 0.78 | CHRNB2 (0.36) | GRM5ALDH1A1CHRNB2CHRNA4HDAC3 | |
| SCHEMBL2830251 | 0.75 | CHRNB2 (0.40) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2827794 | 0.75 | CHRNB2 (0.45) | NPC1RAB9ASMN1; SMN2MAPTALOX15 |
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 |