Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27687060 | 0.98 | TSHR (0.36) | TSHRRAB9AEPHX2NPSR1HSD11B1 | |
| SCHEMBL28318717 | 0.96 | TSHR (0.33) | TSHRRAB9AEPHX2 | |
| SCHEMBL27479621 | 0.90 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL28426928 | 0.85 | HTT (0.34) | TSHRRAB9ANPSR1HSD11B1EPHX1 | |
| SCHEMBL4597754 | 0.83 | HSD11B1 (0.33) | TSHRRAB9AHSD11B1ADH1CADH1A | |
| SCHEMBL28322331 | 0.81 | SLC6A2 (0.36) | TSHREPHX2EPHX1SLC6A2 | |
| SCHEMBL27804992 | 0.81 | THRB (0.33) | — | |
| SCHEMBL28415860 | 0.81 | RAB9A (0.32) | TSHRRAB9AHSD11B1EPHX1GAA | |
| SCHEMBL28249039 | 0.81 | HSD11B1 (0.31) | HSD11B1 | |
| SCHEMBL28897617 | 0.80 | RAB9A (0.33) | RAB9AHSD11B1EPHX1ATMPDK1 |
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-107108552-A | Heterocyclic kinase inhibitors | 百时美施贵宝公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-102317282-A | Hetero ring derivative | ASTELLAS PHARMA INC | 2012-01-11 | — | — | CN | disclosed |