Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.38 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7016056 | 0.90 | THRB (0.47) | HTTALDH1A1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL7017298 | 0.89 | TP53 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL7021271 | 0.89 | CYP19A1 (0.41) | HTTKDM4ESMN1; SMN2KMT2AMAPT | |
| SCHEMBL7008880 | 0.85 | TP53 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2 | |
| SCHEMBL7020188 | 0.79 | LMNA (0.46) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7017354 | 0.78 | THRB (0.48) | HTTSMN1; SMN2KMT2AMAPTPOLB | |
| SCHEMBL7015987 | 0.77 | TP53 (0.47) | KDM4EALDH1A1CYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL7015357 | 0.76 | ALDH1A1 (0.36) | HTTKDM4EALDH1A1MMP13CYP3A4 | |
| Hydrochloric Acid SCHEMBL7015359 | 0.76 | SMN1; SMN2 (0.48) | KDM4EALDH1A1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL7014131 | 0.75 | ABCC8 (0.70) | HTTALDH1A1SMN1; SMN2ABCC8KCNJ11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |