Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15891156 | 0.86 | UBE2T (0.67) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL3554426 | 0.80 | UBE2T (0.48) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL1742930 | 0.79 | HRH3 (0.49) | UBE2T | |
| SCHEMBL2974981 | 0.79 | ALDH1A1 (0.71) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL4411361 | 0.78 | PIK3CA (0.63) | ALDH1A1 | |
| SCHEMBL4399646 | 0.78 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL4399809 | 0.78 | HDAC6 (0.55) | ALDH1A1HPGDKDM4EHSD17B10ALOX15 | |
| SCHEMBL63778 | 0.77 | ALDH1A1 (0.73) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL22265501 | 0.77 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EHSD17B10POLB | |
| SCHEMBL22265502 | 0.77 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4EHSD17B10POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1959951-B1 | HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | EP | disclosed |