Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 4/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | STK17B | O94768 | 1/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7375241 | 0.81 | KCNA5 (0.38) | EPHX2HTR3AKCNA5ESR1ESR2 | |
| SCHEMBL18697150 | 0.80 | MAPT (0.47) | EPHX2LMNAHTR3AMAPT | |
| SCHEMBL7901168 | 0.79 | HTT (0.40) | EPHX2LMNAMAPTKMT2A | |
| SCHEMBL7374829 | 0.76 | GRM4 (0.40) | ESR1ESR2CYP1A2MAPT | |
| SCHEMBL29955343 | 0.75 | ENPP2 (0.39) | EPHX2HTR3AESR1ESR2STK17B | |
| SCHEMBL7893688 | 0.75 | ENPP2 (0.39) | EPHX2HTR3AESR1ESR2STK17B | |
| SCHEMBL12066726 | 0.75 | EPHX2 (0.37) | EPHX2LMNAHTR3AKCNA5ESR1 | |
| SCHEMBL17805164 | 0.73 | EPHX2 (0.36) | EPHX2HTR3AESR1ESR2STK17B | |
| SCHEMBL11450556 | 0.73 | EPHX2 (0.54) | EPHX2HTR3AKCNA5MAPTKMT2A | |
| SCHEMBL30298447 | 0.73 | EPHX2 (0.54) | EPHX2HTR3AKCNA5MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |
| US-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1997008150-A1 | SUBSTITUTED CYCLIC UREAS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-06 | — | — | WO | disclosed |