Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | VHL | P40337 | 1/20 | 0.38 |
| ▸ | ELOC | Q15369 | 1/20 | 0.38 |
| ▸ | ELOB | Q15370 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4929830 | 1.00 | — | — | |
| SCHEMBL9511257 | 1.00 | BCHE (0.48) | BCHEACHENOX1CYP2A6TP53 | |
| SCHEMBL9507758 | 0.92 | BCHE (0.59) | BCHEACHENOX1CYP2A6TP53 | |
| SCHEMBL17876644 | 0.86 | CYP2A6 (0.60) | BCHEACHENOX1CYP2A6TP53 | |
| SCHEMBL9511388 | 0.82 | TSHR (0.43) | BCHEACHENOX1CYP2A6HPGD | |
| SCHEMBL9776459 | 0.81 | BCHE (0.37) | BCHEACHENOX1CYP2A6HPGD | |
| SCHEMBL9698848 | 0.78 | NOX1 (0.42) | BCHEACHENOX1TP53HPGD | |
| SCHEMBL23918224 | 0.77 | BCHE (0.41) | BCHEACHENOX1CYP2A6TP53 | |
| SCHEMBL22180134 | 0.77 | BCHE (0.41) | BCHEACHENOX1CYP2A6TP53 | |
| SCHEMBL9507644 | 0.77 | BCHE (0.41) | BCHEACHENOX1CYP2A6TP53 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4031147-A | CATALYST | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1977-06-21 | — | — | US | claimed |
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| EP-0368063-B1 | PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0283833-B1 | METHOD FOR THE REMOVAL OF M-CHLOROTOLUENE FROM CHLOROTOLUENE MIXTURES | BAYER AG (DE) | 1992-05-06 | — | — | 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 |
| US-4925994-A | Process for the ring chlorination of aromatic hydrocarbons | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-15 | — | — | US | disclosed |
| US-4827058-A | Process for the removal of m-chlorotoluene from chlorotoluene mixtures | BAYER AKTIENGESELLSCHAFT (DE) | 1989-05-02 | — | — | US | disclosed |
| EP-0283833-A2 | Method for the removal of m-chlorotoluene from chlorotoluene mixtures | BAYER AG (DE) | 1988-09-28 | — | — | EP | disclosed |
| US-4425161-A | Thermochromic materials | PILOT INK COMPANY, LTD., (JP) | 1984-01-10 | — | — | US | disclosed |
| US-4031147-A | CATALYST | HOOKER CHEMICALS & PLASTICS CORPORATION (US) | 1977-06-21 | — | — | US | disclosed |