Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL6858080 | 0.89 | MMP1 (0.52) | NPC1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL12583973 | 0.86 | CYP2C19 (0.50) | NPC1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL23862431 | 0.85 | EPHX1 (0.52) | MMP2EPHX1PLA2G2AEPHX2 | |
| SCHEMBL19429659 | 0.83 | EPHX1 (0.58) | CYP2C19EPHX1PLA2G2AEPHX2 | |
| SCHEMBL6940482 | 0.81 | MMP1 (0.46) | NPC1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2641364 | 0.78 | MMP1 (0.40) | NPC1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4400999 | 0.78 | — | — | |
| Dimethylamine SCHEMBL9702906 | 0.77 | MMP1 (0.43) | NPC1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL9866601 | 0.77 | CTSD (0.48) | NPC1GAAMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL27346477 | 0.77 | MCL1 (0.41) | NPC1GAAMAPTRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120267016-A1 | Nontoxic Obscurant Compositions and Method of Using Same | LOMBARDI JOHN L (US) | 2012-10-25 | — | — | US | disclosed |
| US-6737193-B2 | ACTIVE MATERIALS IN THE POSITIVE ELECTRODES OF BATTERIES. NOVEL METHODS FOR PREPARING THE TETRAKETOPIPERAZINE UNIT-CONTAINING COMPOUNDS INCLUDE: (I) REACTING AN OXALYL HALIDE AND AN OXAMIDE, AND ADDING WATER OR AN AQUEOUS ALKALI | IM&T RESEARCH, INC. | 2004-05-18 | — | — | US | disclosed |
| US-20030148188-A1 | Active materials in the positive electrodes of batteries. Novel methods for preparing the tetraketopiperazine unit-containing compounds include: (i) reacting an oxalyl halide and an oxamide, and adding water or an aqueous alkali | IM&T RESEARCH, INC. | 2003-08-07 | — | — | US | disclosed |