Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | GSK3A | P49840 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13817837 | 0.86 | BUB1 (0.36) | HTTGSK3AGSK3BCYP1A2CYP2C19 | |
| SCHEMBL13817822 | 0.82 | ALDH1A1 (0.40) | HTTTP53MAPTBUB1CES1 | |
| SCHEMBL14001512 | 0.81 | GSK3B (0.44) | HTTGSK3AGSK3BCYP1A2CYP2C19 | |
| SCHEMBL2355632 | 0.78 | ACACB (0.59) | HTTGSK3BRECQLBUB1HPGD | |
| SCHEMBL13817801 | 0.78 | HTT (0.40) | HTTBUB1CES1HPGDKDM4E | |
| SCHEMBL13817785 | 0.74 | ACACB (0.42) | HTTGSK3AGSK3BUSP2RECQL | |
| SCHEMBL30892262 | 0.72 | ACACB (0.47) | GSK3AGSK3BPPOXCES1ACACB | |
| SCHEMBL13817830 | 0.71 | HTT (0.42) | HTTCYP1A2CYP2C19SMN1; SMN2CCNB2 | |
| SCHEMBL15489250 | 0.71 | ACACB (0.47) | PPOXCES1ACACBACACA | |
| SCHEMBL2838987 | 0.71 | PPOX (0.52) | HTTGSK3AGSK3BCYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7547660-B2 | Phenyl-substituted 4-hydroxy-tetrahydropyridones | BAYER AKTIENGESELLSCHAFT (DE) | 2009-06-16 | — | — | US | disclosed |
| US-7547660-B2 | Phenyl-substituted 4-hydroxy-tetrahydropyridones | BAYER AKTIENGESELLSCHAFT (DE) | 2009-06-16 | — | — | US | disclosed |
| EP-1276741-B1 | PHENYL SUBSTITUTED 4-HYDROXY TETRAHYDROPYRIDONE AND ITS USE AS PESTICIDE AND HERBICIDE | BAYER CROPSCIENCE AG (DE) | 2008-12-31 | — | — | EP | disclosed |