Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 8/20 | 0.38 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.38 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19627317 | 1.00 | FFAR1 (0.38) | FFAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL17832239 | 0.88 | ACACB (0.39) | FFAR1PDE3BPDE3AKCNH2NTRK1 | |
| SCHEMBL19627316 | 0.86 | PDE3B (0.48) | PDE3BPDE3AKCNH2FAAHEPHX2 | |
| SCHEMBL17832260 | 0.83 | EPHX2 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL17832257 | 0.79 | SCN9A (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL17832266 | 0.76 | MAPT (0.43) | FAAHEPHX2MCHR1 | |
| SCHEMBL17832326 | 0.76 | KCNA5 (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL19627318 | 0.75 | HDAC3 (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23636875 | 0.75 | LIPG (0.49) | — | |
| SCHEMBL17832206 | 0.74 | ACACB (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-2016091207-A1 | NITROMIDAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN DRUG MANUFACTURING | 上海阳帆医药科技有限公司 | 2016-06-16 | — | — | WO | disclosed |