Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | CASP7 | P55210 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL13598105 | 0.98 | MAOA (0.45) | MAOAKDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL17861313 | 0.75 | MAOA (0.59) | MAOAKDM4ELMNACYP3A4CYP2C19 | |
| SCHEMBL20888324 | 0.73 | MAOA (0.45) | MAOAKDM4EMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL17844933 | 0.73 | CA12 (0.34) | KDM4ELMNACYP3A4ALDH1A1HPGD | |
| SCHEMBL17844923 | 0.69 | MEN1 (0.46) | MAOAKDM4ECYP1A2CYP2C19MAOB | |
| SCHEMBL20871939 | 0.68 | MAOA (0.41) | MAOAKDM4ELMNAMAOBALDH1A1 | |
| SCHEMBL20871940 | 0.68 | MAOA (0.41) | MAOAKDM4ELMNAMAOBALDH1A1 | |
| SCHEMBL17847583 | 0.67 | ERN1 (0.36) | KDM4ELMNACYP2C19AKR1B1MCL1 | |
| SCHEMBL8927692 | 0.67 | CYP1A2 (0.44) | MAOACYP1A2CYP3A4CYP2C19MAOB | |
| SCHEMBL8926941 | 0.67 | MAOA (0.43) | MAOAKDM4EMAOBALDH1A1SMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0758327-A1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-19 | — | — | EP | claimed |
| EP-0682663-B1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | UPJOHN CO (US) | 2001-04-18 | — | — | EP | disclosed |
| US-6169181-B1 | HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS | PHARMACIA & UPJOHN COMPANY | 2001-01-02 | — | — | US | disclosed |
| EP-0758327-A1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |
| WO-1994018188-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | THE UPJOHN COMPANY (US) | 1994-08-18 | — | — | WO | disclosed |