Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAN2A1 | Q16706 | 1/20 | 0.36 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6195071 | 0.87 | KDM4E (0.34) | HTR1AHTR7KDM4EKMT2ALTA4H | |
| SCHEMBL6193610 | 0.85 | LMNA (0.52) | KDM4EALDH1A1KMT2ALTA4HSLC6A2 | |
| SCHEMBL7280306 | 0.82 | LTA4H (0.51) | KDM4ELTA4HCYP2D6 | |
| SCHEMBL15645465 | 0.80 | LTA4H (0.55) | HTR1ALTA4HSLC6A2SLC6A3SLC6A4 | |
| SCHEMBL15645462 | 0.80 | LTA4H (0.55) | HTR1ALTA4HSLC6A2SLC6A3SLC6A4 | |
| SCHEMBL5901643 | 0.70 | POLB (0.70) | HTR1AALDH1A1KMT2APOLB | |
| SCHEMBL5995987 | 0.70 | POLB (0.70) | HTR1AALDH1A1KMT2APOLB | |
| SCHEMBL10432963 | 0.70 | CYP1A2 (0.64) | HTR1AHTR7KDM4EALDH1A1KMT2A | |
| SCHEMBL773168 | 0.69 | ALOX15 (0.61) | HTR1AHTR7KDM4EALDH1A1KMT2A | |
| SCHEMBL6449880 | 0.68 | LTA4H (0.43) | KDM4ELTA4HCYP1A2CYP2D6 |
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-1583751-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CV THERAPEUTICS, INC. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004069818-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES | CV THERAPEUTICS INC. (US) | 2004-08-19 | — | — | WO | disclosed |