Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN5 | P54829 | 1/20 | 0.58 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.55 |
| ▸ | CYBB | P04839 | 1/20 | 0.55 |
| ▸ | NOX3 | Q9HBY0 | 1/20 | 0.55 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511171 | 1.00 | PTPN5 (0.58) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL28924686 | 0.93 | CYBB (0.65) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL28642307 | 0.77 | ALDH1A1 (0.44) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL22673417 | 0.77 | ALDH1A1 (0.44) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL20842835 | 0.77 | NOX1 (0.68) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL11753992 | 0.74 | CYBB (0.54) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL10631877 | 0.73 | PTPN5 (1.00) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL2749062 | 0.72 | CYBB (0.53) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL11753735 | 0.72 | CYBB (0.53) | PTPN5NOX1CYBBNOX3NOX4 | |
| SCHEMBL2749063 | 0.72 | CYBB (0.53) | PTPN5NOX1CYBBNOX3NOX4 |
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 |