Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.62 |
| ▸ | RELA | Q04206 | 2/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.57 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.57 |
| ▸ | TUBB | P07437 | 2/20 | 0.57 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.57 |
| ▸ | AHR | P35869 | 2/20 | 0.57 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.57 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.57 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.57 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.57 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.57 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.57 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.57 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL2536970 | 0.87 | CA1 (0.58) | KDM4ECYP3A4LMNAALDH1A1NPC1 | |
| SCHEMBL9605427 | 0.84 | CYP1A1 (0.69) | CYP1A2CYP1A1CYP1B1ESR1PTGS2 | |
| SCHEMBL7793047 | 0.83 | GRIN2D (0.53) | NFE2L2CYP1A2PTGS2KDM4ECYP3A4 | |
| SCHEMBL7793053 | 0.83 | GRIN2D (0.53) | NFE2L2CYP1A2PTGS2KDM4ECYP3A4 | |
| SCHEMBL14950253 | 0.82 | RELA (0.81) | NFE2L2RELATRPA1CYP1A2CYP1A1 | |
| SCHEMBL4881152 | 0.82 | RELA (0.81) | NFE2L2RELATRPA1CYP1A2CYP1A1 | |
| SCHEMBL699457 | 0.82 | RELA (0.81) | NFE2L2RELATRPA1CYP1A2CYP1A1 | |
| SCHEMBL631998 | 0.82 | RELA (0.81) | NFE2L2RELATRPA1CYP1A2CYP1A1 | |
| SCHEMBL699458 | 0.82 | RELA (0.81) | NFE2L2RELATRPA1CYP1A2CYP1A1 | |
| SCHEMBL13790336 | 0.82 | RELA (0.81) | NFE2L2RELATRPA1CYP1A2CYP1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5389292-A | Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| CN-1023699-C | Difluoromethyl compounds | MERCK PATENT GMBH (DE) | 1994-02-09 | — | — | CN | disclosed |
| EP-0381728-B1 | DIFLUOROMETHYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |
| CN-1039797-A | difluoromethyl compound | MERCK PATENT GMBH (DE) | 1990-02-21 | — | — | CN | disclosed |