Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16029209 | 0.92 | HTT (0.78) | HTTSMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7017271 | 0.90 | TSHR (0.59) | HTTSMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7016485 | 0.88 | ALDH1A1 (0.60) | HTTSMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7016235 | 0.87 | SMN1; SMN2 (0.63) | HTTSMN1; SMN2TSHRRAB9AMAPT | |
| SCHEMBL555962 | 0.82 | HTT (0.74) | HTTSMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL555173 | 0.81 | HTT (0.78) | HTTSMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7015623 | 0.80 | TSHR (0.56) | HTTSMN1; SMN2TSHRRAB9AMAPT | |
| SCHEMBL7017096 | 0.80 | MAPK1 (0.53) | HTTSMN1; SMN2TSHRRAB9AMAPT | |
| SCHEMBL13083068 | 0.80 | HTT (0.71) | HTTSMN1; SMN2CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL16028263 | 0.80 | HPGD (0.62) | HTTSMN1; SMN2CYP1A2CYP2C19CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |