Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYBB | P04839 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.41 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | MLYCD | O95822 | 5/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9509967 | 0.86 | NOX1 (0.45) | CES1ACHEMAPTNOX1MEN1 | |
| SCHEMBL9510032 | 0.82 | MAPT (0.41) | ACHEMAPTNOX1MEN1CYBB | |
| SCHEMBL2639219 | 0.77 | PLEC (0.51) | CES1ACHEMAPTNOX1MEN1 | |
| SCHEMBL30944690 | 0.77 | PLEC (0.51) | CES1ACHEMAPTNOX1MEN1 | |
| SCHEMBL10891237 | 0.77 | MAPT (0.40) | MAPTNOX1MEN1CYBBAPP | |
| SCHEMBL11042557 | 0.76 | MAPT (0.44) | ACHEMAPTNOX1MEN1CYBB | |
| SCHEMBL2129616 | 0.76 | MAPT (0.65) | MAPTNOX1MEN1CYBBAPP | |
| SCHEMBL17559563 | 0.74 | NOX1 (0.38) | ACHEMAPTNOX1MEN1CYBB | |
| SCHEMBL6025191 | 0.74 | NOX1 (0.42) | CES1ACHEMAPTNOX1MEN1 | |
| SCHEMBL17559561 | 0.74 | NOX1 (0.36) | ACHEMAPTNOX1MEN1CYBB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |