Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | FHIT | P49789 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL223749 | 0.74 | MAPT (0.50) | RAB9ANPC1L3MBTL1KDM4EGLA | |
| SCHEMBL28975076 | 0.72 | ESR1 (0.58) | RAB9ANPC1L3MBTL1TSHRLMNA | |
| Hydrochloric Acid SCHEMBL4302454 | 0.72 | GPR35 (0.35) | KDM4EPOLBMAPTTSHRLMNA | |
| SCHEMBL25381779 | 0.72 | ESR1 (0.58) | RAB9ANPC1L3MBTL1TSHRLMNA | |
| SCHEMBL25379588 | 0.72 | ESR1 (0.58) | RAB9ANPC1L3MBTL1TSHRLMNA | |
| SCHEMBL25379900 | 0.72 | ESR1 (0.58) | RAB9ANPC1L3MBTL1TSHRLMNA | |
| SCHEMBL31581217 | 0.72 | ESR1 (0.58) | RAB9ANPC1L3MBTL1TSHRLMNA | |
| SCHEMBL223748 | 0.72 | MAPT (0.55) | RAB9ANPC1L3MBTL1KDM4EGLA | |
| SCHEMBL18671041 | 0.71 | MAPT (0.84) | RAB9ANPC1L3MBTL1KDM4EMAPT | |
| SCHEMBL2935502 | 0.71 | ESR1 (0.49) | RAB9ANPC1L3MBTL1KDM4EGLA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101137653-B | Thiazole-4-carboxamide derivatives as MGLUR5 antagonists | HOFFMANN LA ROCHE | 2012-05-09 | — | — | CN | disclosed |
| CN-101137653-A | Thiazole-4-carboxamide derivatives as MGLUR5 antagonists | HOFFMANN LA ROCHE (CH) | 2008-03-05 | — | — | CN | disclosed |