Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16400400 | 1.00 | SIGMAR1 (0.33) | SIGMAR1TSHRDRD2DRD3MGLL | |
| SCHEMBL17867679 | 0.81 | SETD7 (0.37) | TSHRSMN1; SMN2 | |
| SCHEMBL17867678 | 0.81 | SETD7 (0.37) | TSHRSMN1; SMN2 | |
| SCHEMBL13733481 | 0.80 | HSD17B10 (0.37) | SIGMAR1TSHRDRD2DRD3MGLL | |
| SCHEMBL13733486 | 0.80 | HSD17B10 (0.37) | SIGMAR1TSHRDRD2DRD3MGLL | |
| SCHEMBL16400765 | 0.78 | GBA2 (0.37) | SIGMAR1TSHRDRD2DRD3SMN1; SMN2 | |
| SCHEMBL18691907 | 0.73 | HSD11B1 (0.43) | SIGMAR1DRD2DRD3SMN1; SMN2 | |
| SCHEMBL13662624 | 0.72 | P2RX7 (0.42) | DRD2DRD3PTGDR2SMN1; SMN2 | |
| SCHEMBL21772146 | 0.72 | MAPK1 (0.50) | TSHRDRD2DRD3MGLLPTGDR2 | |
| SCHEMBL22117940 | 0.72 | MAPK1 (0.50) | TSHRDRD2DRD3MGLLPTGDR2 |
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-105555783-B | Include the autotaxin inhibitors of heteroaromatic rings benzyl amide ring core | 诺华股份有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-105555783-A | Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core | NOVARTIS AG | 2016-05-04 | — | — | CN | disclosed |