Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL129649 | 0.78 | AHR (0.56) | ALDH1A1BRD4KEAP1PDPK1REN | |
| SCHEMBL29364263 | 0.78 | AHR (0.56) | ALDH1A1BRD4KEAP1PDPK1REN | |
| Methane SCHEMBL27911669 | 0.76 | AHR (0.54) | ALDH1A1BRD4KEAP1PDPK1REN | |
| SCHEMBL7089361 | 0.73 | GSTP1 (0.46) | NPC1RAB9ATSHRBRD4KEAP1 | |
| SCHEMBL554324 | 0.72 | MAOA (1.00) | MAOAALDH1A1SMN1; SMN2MEN1KMT2A | |
| Diphenylether SCHEMBL28089995 | 0.72 | MAOA (1.00) | MAOAALDH1A1SMN1; SMN2MEN1KMT2A | |
| 4-Phenoxyaniline SCHEMBL159084 | 0.72 | MAOA (1.00) | MAOAALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL4718619 | 0.72 | KEAP1 (0.49) | KMT2AGAATSHRBRD4KEAP1 | |
| Acetic Acid SCHEMBL9117969 | 0.72 | KEAP1 (0.58) | BRD4KEAP1PDPK1AHR | |
| Pyridine SCHEMBL28517156 | 0.70 | AHR (0.44) | GAABRD4KEAP1PDPK1REN |
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 |
|---|---|---|---|---|---|---|---|
| EP-0169101-B1 | PROCESS FOR PREPARING (HYDROCARBYLTHIO)CYCLIC AMINES | ETHYL CORPORATION (US) | 1988-08-24 | — | — | EP | disclosed |