Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPOX | P50336 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | PRKAB2 | O43741 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL12493709 | 0.92 | PPOX (0.55) | PPOXSLC6A2SLC6A4ALDH1A1SLC6A3 | |
| SCHEMBL78346 | 0.87 | SLC6A2 (0.50) | SLC6A2SLC6A4ALDH1A1SLC6A3HPGD | |
| SCHEMBL6431344 | 0.86 | SLC6A2 (0.65) | SLC6A2SLC6A4ALDH1A1SLC6A3HPGD | |
| SCHEMBL15157023 | 0.84 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7806569 | 0.82 | SLC6A2 (0.49) | SLC6A2SLC6A4ALDH1A1SLC6A3HPGD | |
| SCHEMBL12362768 | 0.82 | ALDH1A1 (0.53) | SLC6A2SLC6A4ALDH1A1SLC6A3HPGD | |
| SCHEMBL7814371 | 0.82 | ALDH1A1 (0.58) | SLC6A2SLC6A4ALDH1A1SLC6A3HPGD | |
| SCHEMBL6523537 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6029717 | 0.80 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6028329 | 0.80 | HSD17B10 (0.59) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 |
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-1723129-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005061470-A1 | 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS | CV THERAPEUTICS, INC. (US) | 2005-07-07 | — | — | WO | disclosed |
| US-4297440-A | CONTAINING A 3-ANILINO-5-PYRAZOLONE MAGENTA COUPLER | FUJI PHOTO FILM CO., LTD. (JP) | 1981-10-27 | — | — | US | disclosed |