Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PTGIR | P43119 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2417142 | 0.88 | HAO1 (0.53) | HAO1PTGIRKIF11MLYCDSLC6A2 | |
| Fluoride SCHEMBL29094698 | 0.85 | HAO1 (0.52) | HAO1PTGIRKIF11MLYCDSLC6A2 | |
| SCHEMBL28777340 | 0.85 | CYP19A1 (0.55) | CYP19A1AHRMEN1KMT2AKIF11 | |
| SCHEMBL196588 | 0.85 | CYP19A1 (0.55) | CYP19A1AHRMEN1KMT2AKIF11 | |
| Hydrogen Sulfide SCHEMBL28292229 | 0.83 | CYP19A1 (0.53) | CYP19A1AHRMEN1KMT2AKIF11 | |
| Water SCHEMBL28260933 | 0.83 | CYP19A1 (0.53) | CYP19A1AHRMEN1KMT2AKIF11 | |
| Chloromethane SCHEMBL27654434 | 0.83 | CYP19A1 (0.53) | CYP19A1AHRMEN1KMT2AKIF11 | |
| Phosphine SCHEMBL28854143 | 0.83 | CYP19A1 (0.53) | CYP19A1AHRMEN1KMT2AKIF11 | |
| Water SCHEMBL28855946 | 0.83 | CYP19A1 (0.53) | CYP19A1AHRMEN1KMT2AKIF11 | |
| SCHEMBL27896762 | 0.83 | CYP19A1 (0.53) | CYP19A1AHRMEN1KMT2AKIF11 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6255542-B1 | RING CHLORINATING 4-NITROALKYLBENZENE WITH CHLORINE OR CHLORING-RELEASING AGENT IN A LIQUID PHASE AND IN THE PRESENCE OF A FRIEDEL-CRAFTS CATALYST AND A DIARYL SULFIDE CO-CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 2001-07-03 | — | — | US | disclosed |