Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6440827 | 0.80 | HTT (0.42) | TDP1ALDH1A1TSHRPOLBKCNH2 | |
| SCHEMBL21525922 | 0.79 | TDP1 (0.67) | TDP1ALDH1A1TSHRPOLBHTT | |
| SCHEMBL6443012 | 0.78 | CHRNB2 (0.43) | ALDH1A1POLBKCNH2MCL1KDM4E | |
| SCHEMBL6440784 | 0.76 | KCNH2 (0.46) | ALDH1A1TSHRPOLBKCNH2HPGD | |
| SCHEMBL1426436 | 0.76 | ALDH1A1 (0.49) | TDP1ALDH1A1TSHRKCNH2HPGD | |
| SCHEMBL28365066 | 0.76 | TDP1 (0.62) | TDP1ALDH1A1TSHRPOLBHTT | |
| SCHEMBL27591963 | 0.74 | KCNH2 (0.41) | TDP1ALDH1A1TSHRPOLBKCNH2 | |
| SCHEMBL6447185 | 0.72 | TDP1 (0.69) | TDP1ALDH1A1TSHRPOLBHTT | |
| Sumiki'S Acid SCHEMBL29706392 | 0.72 | TDP1 (1.00) | TDP1ALDH1A1TSHRPOLBHTT | |
| Sumiki'S Acid SCHEMBL50822 | 0.72 | TDP1 (1.00) | TDP1ALDH1A1TSHRPOLBHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944631-B1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES | BAYER HEALTHCARE AG (DE) | 2004-02-18 | — | — | EP | disclosed |
| US-6451805-B1 | Substituted pyrazole derivatives for the treatment of cardiocirculatory diseases | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-17 | — | — | US | disclosed |
| EP-0944631-A1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES | BAYER AG (DE) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998023619-A1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CARDIOCIRCULATORY DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-04 | — | — | WO | disclosed |