Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 5/20 | 0.53 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6940007 | 0.91 | ACMSD (0.58) | QDPRACMSDESR2NUDT1BACE1 | |
| SCHEMBL19665789 | 0.90 | ACMSD (0.59) | QDPRACMSDESR2NUDT1BACE1 | |
| SCHEMBL918287 | 0.90 | ACMSD (0.59) | QDPRACMSDESR2NUDT1BACE1 | |
| SCHEMBL2720517 | 0.86 | ESR2 (0.53) | ACMSDESR2NUDT1BACE1HSP90AA1 | |
| SCHEMBL2718818 | 0.86 | ESR2 (0.53) | ACMSDESR2NUDT1BACE1HSP90AA1 | |
| SCHEMBL4961987 | 0.82 | QDPR (0.53) | QDPRACMSDESR2HDAC4HDAC2 | |
| SCHEMBL28865507 | 0.82 | ACMSD (0.51) | QDPRACMSDESR2NUDT1BACE1 | |
| SCHEMBL108606 | 0.81 | QDPR (0.73) | QDPRACMSDESR2HDAC4HDAC2 | |
| SCHEMBL10282755 | 0.81 | QDPR (0.73) | QDPRACMSDESR2HDAC4HDAC2 | |
| SCHEMBL9008321 | 0.78 | NUDT1 (0.53) | QDPRACMSDESR2NUDT1BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6096293-A | APPLYING ORAL COMPOSITION CONTAINING 2,4-DI-TERT-BUTYL PHENOL TO TEETH | COLGATE-PALMOLIVE COMPANY (US) | 2000-08-01 | — | — | US | disclosed |
| US-5912274-A | WATER INSOLUBLE NONCATIONIC ANTIBACTERIAL PHENOL CONTAINING, RELATIVE TO THE HYDROXYL GROUP, AN ALKYL OR CYCLOALKYL GROUP, PREFERABLY TERT.-BUTYL (T-BUTYL), IN THE 2-POSITION, AND SUBSTITUENTS IN ONE OR BOTH OF THE 4- AND 5-POSITIONS | COLGATE-PALMOLIVE COMPANY (US) | 1999-06-15 | — | — | US | disclosed |
| EP-0852486-A2 | ANTIPLAQUE ORAL COMPOSITION | Colgate-Palmolive Company (US) | 1998-07-15 | — | — | EP | disclosed |
| WO-1997010800-A2 | ANTIPLAQUE ORAL COMPOSITION | COLGATE-PALMOLIVE COMPANY (US) | 1997-03-27 | — | — | WO | disclosed |