Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.50 |
| ▸ | CES2 | O00748 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL183337 | 0.98 | CES1 (0.52) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL28442996 | 0.85 | CES2 (0.61) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL27977518 | 0.82 | CES1 (0.58) | CES1CES2ALDH1A1TSHRTDP1 | |
| SCHEMBL27977828 | 0.80 | CES1 (0.56) | CES1CES2ALDH1A1TSHRTDP1 | |
| SCHEMBL27977805 | 0.80 | CES1 (0.56) | CES1CES2ALDH1A1TSHRTDP1 | |
| SCHEMBL27977807 | 0.80 | CES1 (0.56) | CES1CES2ALDH1A1TSHRTDP1 | |
| SCHEMBL27977810 | 0.80 | CES1 (0.56) | CES1CES2ALDH1A1TSHRTDP1 | |
| SCHEMBL20031080 | 0.80 | CES1 (0.44) | CES1CES2ALDH1A1TSHRFFAR3 | |
| SCHEMBL28813498 | 0.80 | CES1 (0.56) | CES1CES2ALDH1A1TSHRTDP1 | |
| SCHEMBL28006875 | 0.80 | CES1 (0.60) | CES1CES2ALDH1A1TSHRTDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0801640-B1 | 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME | USA (US) | 2003-03-26 | — | — | EP | disclosed |
| US-6066656-A | IN VITRO METHOD OF ASSAYING FOR ANTIRETROVIRAL ACTIVITY OF A COMPOUND BY MEASURING THE FLUORESCENCE OF A FLUORESCENT COMPOUND, MEASURING THE CHANGE IN FLUORESCENCE OF SAID COMPOUND IN THE PRESENCE OF A RETROVIRAL PROTEASE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2000-05-23 | — | — | US | disclosed |
| US-5925780-A | VIRICIDES FOR RETROVIRAL SPECIES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-07-20 | — | — | US | disclosed |
| US-5728718-A | RETROVIRAL PROTEASE INHIBITOR; TREATMENT OF HTLV | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-03-17 | — | — | US | disclosed |
| EP-0801640-A1 | 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1997-10-22 | — | — | EP | disclosed |
| WO-1996019437-A9 | 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME | — | 1996-09-06 | — | — | WO | disclosed |
| WO-1996019437-A1 | 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-06-27 | — | — | WO | disclosed |