Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | THRA | P10827 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4866699 | 0.82 | ALDH1A1 (0.67) | ALDH1A1LMNAMEN1KMT2ATHRA | |
| SCHEMBL30514209 | 0.82 | ALDH1A1 (0.67) | ALDH1A1LMNAMEN1KMT2ATHRA | |
| SCHEMBL6187673 | 0.81 | ALDH1A1 (0.54) | ALDH1A1LMNAMEN1KMT2ATHRA | |
| SCHEMBL4858016 | 0.80 | ALDH1A1 (0.71) | ALDH1A1LMNAMEN1KMT2ATHRA | |
| Hydrochloric Acid SCHEMBL9594433 | 0.71 | DRD2 (0.59) | — | |
| SCHEMBL1613763 | 0.70 | ALDH1A1 (0.68) | ALDH1A1LMNAMEN1KMT2ATHRA | |
| SCHEMBL30567324 | 0.70 | ALDH1A1 (0.68) | ALDH1A1LMNAMEN1KMT2ATHRA | |
| SCHEMBL4865203 | 0.70 | ALDH1A1 (0.70) | ALDH1A1LMNAMEN1KMT2ATHRA | |
| SCHEMBL3066269 | 0.70 | ALDH1A1 (0.78) | ALDH1A1LMNAMEN1KMT2ATHRA | |
| SCHEMBL24534295 | 0.69 | ALDH1A1 (0.43) | ALDH1A1LMNAMEN1KMT2ATHRA |
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-1567525-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004052887-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |