Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.32 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 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 | |
|---|---|---|---|---|
| SCHEMBL8221276 | 1.00 | TSHR (0.39) | TSHRALOX15CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL28773870 | 1.00 | TSHR (0.39) | TSHRALOX15CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL7686788 | 0.82 | TSHR (0.41) | TSHRSMN1; SMN2LMNATDP1MAPT | |
| SCHEMBL9541479 | 0.82 | TSHR (0.41) | TSHRSMN1; SMN2LMNAGRIK1GRIK2 | |
| SCHEMBL9541472 | 0.82 | TSHR (0.41) | TSHRSMN1; SMN2LMNATDP1MAPT | |
| SCHEMBL8221270 | 0.81 | TSHR (0.41) | TSHRALOX15CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL30357063 | 0.80 | ALOX15 (0.50) | TSHRALOX15CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL19442152 | 0.75 | — | — | |
| SCHEMBL28725124 | 0.74 | GAA (0.52) | TSHRSMN1; SMN2NPSR1LMNATDP1 | |
| SCHEMBL28725161 | 0.74 | TSHR (0.35) | TSHRGRIK1GRIK2CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008057208-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK & CO., INC. (US) | 2008-05-15 | — | — | WO | disclosed |