Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | LIG1 | P18858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KDM5A | P29375 | 1/20 | 0.46 |
| ▸ | KDM5C | P41229 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3937140 | 0.93 | LIG1 (0.55) | KDM4EPOLBSMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL669085 | 0.90 | CYP3A4 (0.58) | KDM4EPOLBSMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL10389427 | 0.90 | CYP3A4 (0.50) | KDM4EPOLBSMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL668774 | 0.87 | SMN1; SMN2 (0.58) | KDM4EPOLBSMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL28065146 | 0.87 | KDM4E (0.54) | KDM4EPOLBSMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL15813878 | 0.87 | LIG1 (0.46) | KDM4EPOLBSMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL20415950 | 0.83 | BLM (0.45) | KDM4EPOLBSMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL20471918 | 0.83 | LIG1 (0.47) | KDM4EPOLBSMN1; SMN2ALDH1A1HSP90AA1 | |
| SCHEMBL385145 | 0.82 | LIG1 (0.68) | KDM4ESMN1; SMN2ALDH1A1HSP90AA1HPGD | |
| SCHEMBL30195826 | 0.82 | LIG1 (0.68) | KDM4ESMN1; SMN2ALDH1A1HSP90AA1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109836351-A | A kind of preparation method of cholagogic alibendol | 辽宁博美医药科技有限公司 | 2019-06-04 | — | — | CN | claimed |
| CN-109836351-A | A kind of preparation method of cholagogic alibendol | 辽宁博美医药科技有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-109836351-A | A kind of preparation method of cholagogic alibendol | 辽宁博美医药科技有限公司 | 2019-06-04 | — | — | CN | disclosed |