Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.37 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2810982 | 0.84 | LDHA (0.54) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14689223 | 0.78 | CYP2A6 (0.53) | MAPTCYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL27775500 | 0.77 | KMT2A (0.51) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16701399 | 0.76 | TSHR (0.53) | ALDH1A1MAPTTSHRGPR35MEN1 | |
| SCHEMBL801081 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1762742 | 0.75 | TSHR (0.47) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29697302 | 0.74 | ERN1 (0.48) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29838652 | 0.72 | AAK1 (0.48) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31436939 | 0.72 | ALDH1A1 (0.53) | ALDH1A1MAPTTSHRGPR35MEN1 | |
| SCHEMBL27775497 | 0.72 | ALDH1A1 (0.43) | ALDH1A1MAPTTSHRGPR35ELANE |
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-101511813-B | Heterocyclic FXR binding compounds | PHENEX PHARMACEUTICALS AG | 2012-12-12 | — | — | CN | disclosed |
| CN-101511813-A | Heterocyclic FXR binding compounds | PHENEX PHARMACEUTICALS AG (DE) | 2009-08-19 | — | — | CN | disclosed |