Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4379360 | 0.90 | GRM5 (0.38) | AKR1B1KDM4ESMN1; SMN2MEN1USP2 | |
| SCHEMBL13952233 | 0.87 | AKR1B1 (0.42) | AKR1B1ACHEAKR1B10AKR1A1BRD4 | |
| SCHEMBL4379298 | 0.86 | MEN1 (0.35) | AKR1B1KDM4ESMN1; SMN2MEN1USP2 | |
| SCHEMBL4371218 | 0.84 | ALDH1A1 (0.45) | ACHEKDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL4369470 | 0.83 | P2RX7 (0.35) | KDM4ESMN1; SMN2MEN1USP2ALDH1A1 | |
| SCHEMBL4224823 | 0.82 | MEN1 (0.36) | AKR1B1KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL4374700 | 0.81 | CASP3 (0.52) | MEN1USP2ALDH1A1MAPTHPGD | |
| SCHEMBL4367878 | 0.81 | GRM5 (0.43) | AKR1B1KDM4ESMN1; SMN2MEN1USP2 | |
| SCHEMBL4366780 | 0.80 | CA12 (0.43) | KDM4EMEN1USP2ALDH1A1RAF1 | |
| SCHEMBL4369764 | 0.79 | UBE2N (0.51) | KDM4ESMN1; SMN2MEN1USP2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |