Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | BUB1 | O43683 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13817801 | 0.91 | HTT (0.40) | ALDH1A1HTTBUB1CES1HTR6 | |
| SCHEMBL13817835 | 0.82 | HTT (0.43) | ALDH1A1HTTBUB1CES1HPGD | |
| SCHEMBL13817791 | 0.82 | HTT (0.38) | ALDH1A1HTTBUB1HPGDHSD17B10 | |
| SCHEMBL13817785 | 0.81 | ACACB (0.42) | ALDH1A1HTTBUB1HSD17B10AKR1C2 | |
| SCHEMBL13817808 | 0.80 | BUB1 (0.32) | HTTBUB1 | |
| SCHEMBL13817837 | 0.75 | BUB1 (0.36) | ALDH1A1HTTBUB1CES1HPGD | |
| SCHEMBL13817821 | 0.74 | ALDH1A1 (0.34) | ALDH1A1HTTBUB1CES1HPGD | |
| SCHEMBL2355632 | 0.72 | ACACB (0.59) | HTTBUB1HPGDHSD17B10GFER | |
| SCHEMBL13817806 | 0.69 | HTT (0.33) | HTT | |
| SCHEMBL13817824 | 0.68 | HTT (0.35) | ALDH1A1HTTCES1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |