Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17027197 | 0.85 | KIF11 (0.67) | KIF11TRPV1CYP11B1CYP11B2MMP12 | |
| SCHEMBL30016963 | 0.85 | KIF11 (0.67) | KIF11TRPV1CYP11B1CYP11B2MMP12 | |
| SCHEMBL762348 | 0.79 | TRPV1 (0.58) | KIF11TRPV1CYP11B1CYP11B2MMP12 | |
| SCHEMBL4596430 | 0.77 | KIF11 (0.59) | KIF11TRPV1CYP11B1CYP11B2MMP12 | |
| SCHEMBL28778446 | 0.74 | MMP12 (0.56) | KIF11MMP12PARP1ALDH1A1MAPT | |
| SCHEMBL11242330 | 0.74 | MAOB (0.58) | KIF11CYP11B1CYP11B2NR1H2NR1H3 | |
| SCHEMBL3626489 | 0.74 | TRPV1 (0.43) | TRPV1NR1H2NR1H3ALDH1A1MAPT | |
| SCHEMBL1861248 | 0.73 | NR3C2 (0.57) | KIF11CYP11B1CYP11B2MMP12PARP1 | |
| SCHEMBL30053776 | 0.73 | NR3C2 (0.57) | KIF11CYP11B1CYP11B2MMP12PARP1 | |
| SCHEMBL295559 | 0.73 | BRD4 (0.56) | KIF11TRPV1CYP11B1CYP11B2MMP12 |
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 |
|---|---|---|---|---|---|---|---|
| US-4251534-A | Antihypertensive polyfluorohydroxyisopropyl bicyclic and tricyclic carbostyrils | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-02-17 | — | — | US | disclosed |