Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | CASP3 | P42574 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1095326 | 0.85 | NLRP3 (0.61) | NPC1RAB9ASMN1; SMN2POLBLMNA | |
| SCHEMBL7229249 | 0.84 | NPC1 (0.65) | NPC1RAB9ACASP3SMN1; SMN2POLB | |
| SCHEMBL6931240 | 0.83 | P2RX7 (0.54) | NPC1RAB9ASMN1; SMN2POLBLMNA | |
| SCHEMBL29956120 | 0.81 | NPC1 (0.60) | NPC1RAB9ACASP3SMN1; SMN2POLB | |
| SCHEMBL2233522 | 0.79 | NPC1 (0.69) | NPC1RAB9ACASP3SMN1; SMN2POLB | |
| SCHEMBL28564954 | 0.78 | NPC1 (0.64) | NPC1RAB9ACASP3SMN1; SMN2POLB | |
| SCHEMBL4955341 | 0.78 | NLRP3 (0.47) | NPC1RAB9ACASP3POLBLMNA | |
| SCHEMBL5853278 | 0.78 | NPC1 (1.00) | NPC1RAB9ACASP3SMN1; SMN2POLB | |
| SCHEMBL10489837 | 0.78 | NPC1 (0.76) | NPC1RAB9ACASP3SMN1; SMN2POLB | |
| SCHEMBL3212368 | 0.77 | EPHX2 (0.57) | CASP3POLBLMNAKDM4ENLRP3 |
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 |