Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL291363 | 0.89 | CA2 (0.68) | CA2MAPTATMKDM4EALDH1A1 | |
| SCHEMBL2566108 | 0.80 | CA2 (0.57) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL8685698 | 0.79 | CA2 (0.55) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL28891118 | 0.78 | CA2 (0.53) | CA2MAPTATMKDM4EALDH1A1 | |
| SCHEMBL23458348 | 0.77 | CA2 (0.48) | CA2MAPTATMKDM4EALDH1A1 | |
| SCHEMBL29640498 | 0.77 | CA2 (0.48) | CA2MAPTATMKDM4EALDH1A1 | |
| SCHEMBL318036 | 0.77 | CA2 (0.68) | CA2MAPTATMKDM4EALDH1A1 | |
| SCHEMBL29475007 | 0.77 | CA2 (0.68) | CA2MAPTATMKDM4EALDH1A1 | |
| SCHEMBL31511151 | 0.76 | TRPV4 (0.40) | CA2SMN1; SMN2CA1CA9CA12 | |
| SCHEMBL14288611 | 0.76 | CALM1 (0.61) | CA2SMN1; SMN2LMNAMAPTATM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009026248-A2 | HYDRAZIDE, AMIDE, PHTHALIMIDE AND PHTHALHYDRAZIDE ANALOGS AS INHIBITORS OF RETROVIRAL INTEGRASE | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER (US) | 2009-02-26 | — | — | WO | disclosed |