Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28751707 | 0.81 | ALOX5 (0.44) | LMNATSHRGAAALDH1A1MAPT | |
| SCHEMBL2762893 | 0.80 | NOX1 (0.43) | KDM4ELMNAGAAALDH1A1MAPT | |
| SCHEMBL4945968 | 0.80 | ALOX5 (0.48) | KDM4ELMNATSHRGAAALDH1A1 | |
| SCHEMBL9495694 | 0.80 | ALOX5 (0.51) | KDM4ELMNATSHRGAAALDH1A1 | |
| SCHEMBL24068207 | 0.80 | TRPA1 (0.49) | KDM4ELMNATSHRGAAALDH1A1 | |
| SCHEMBL2762894 | 0.78 | ALDH1A1 (0.50) | KDM4ELMNATSHRGAAALDH1A1 | |
| SCHEMBL30944663 | 0.78 | ALDH1A1 (0.50) | KDM4ELMNATSHRGAAALDH1A1 | |
| Thianthrene SCHEMBL30108387 | 0.78 | ALDH1A1 (0.50) | KDM4ELMNATSHRGAAALDH1A1 | |
| SCHEMBL10671031 | 0.77 | BCHE (0.37) | KDM4ELMNATSHRGAAMAPT | |
| SCHEMBL10671025 | 0.77 | BCHE (0.37) | KDM4ELMNATSHRGAAMAPT |
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 |