Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL904162 | 1.00 | GPR119 (0.45) | GPR119KCNH2HRH3ACACBTBXAS1 | |
| SCHEMBL903982 | 0.90 | GPR119 (0.47) | GPR119KCNH2HDAC3HDAC4HDAC1 | |
| SCHEMBL903901 | 0.82 | HDAC3 (0.41) | GPR119HRH3HDAC3HDAC4HDAC1 | |
| SCHEMBL904119 | 0.79 | GPR119 (0.47) | GPR119 | |
| SCHEMBL904117 | 0.76 | GPR119 (0.51) | GPR119 | |
| SCHEMBL903943 | 0.76 | GPR119 (0.39) | GPR119KCNH2ACACBHDAC3HDAC4 | |
| SCHEMBL903926 | 0.76 | GPR119 (0.47) | GPR119HRH3MAPTHDAC3HDAC4 | |
| SCHEMBL10067420 | 0.75 | GPR119 (0.47) | GPR119 | |
| SCHEMBL10067579 | 0.75 | GPR119 (0.38) | GPR119KCNH2 | |
| SCHEMBL3343984 | 0.74 | ACACB (0.52) | GPR119HRH3ACACBMAPTPOLB |
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-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |