Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.35 |
| ▸ | GPR142 | Q7Z601 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27710459 | 0.82 | LMNA (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7033221 | 0.70 | ADRB2 (0.41) | CAPN1KDM4CCFTRGOPCLMNA | |
| SCHEMBL27862511 | 0.67 | SLC6A3 (0.35) | CAPN1GPR142PKM | |
| SCHEMBL27853417 | 0.67 | DPP4 (0.39) | CAPN1GPR142PKM | |
| SCHEMBL15313384 | 0.64 | CYP1A2 (0.64) | CYP1A2CYP2D6KDM4CLMNAHTT | |
| SCHEMBL27850809 | 0.63 | SLC6A3 (0.32) | CAPN1 | |
| SCHEMBL7384057 | 0.61 | CYP1A2 (0.40) | CYP1A2CYP2D6KDM4C | |
| SCHEMBL2639846 | 0.59 | DPP4 (0.39) | CAPN1GPR142LMNASMN1; SMN2PKM | |
| SCHEMBL1696695 | 0.59 | DPP4 (0.39) | CAPN1GPR142LMNASMN1; SMN2PKM | |
| SCHEMBL16297957 | 0.59 | SLC6A3 (0.41) | CAPN1GPR142LMNASMN1; SMN2PKM |
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 |
|---|---|---|---|---|---|---|---|
| CN-101137653-A | Thiazole-4-carboxamide derivatives as MGLUR5 antagonists | HOFFMANN LA ROCHE (CH) | 2008-03-05 | — | — | CN | disclosed |