Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9635086 | 0.79 | BRD4 (0.45) | CA12CA9PARP3L3MBTL1PARP1 | |
| SCHEMBL9636783 | 0.74 | PARP3 (0.38) | CA12CA9PARP3L3MBTL1PARP1 | |
| SCHEMBL9636732 | 0.73 | PARP3 (0.38) | CA12CA9PARP3L3MBTL1PARP1 | |
| SCHEMBL27488683 | 0.73 | S100A4 (0.48) | ALDH1A1HSD17B10S100A4MAPTHPGD | |
| SCHEMBL29624092 | 0.69 | TSHR (0.49) | CA12CA9PARP3L3MBTL1ALDH1A1 | |
| SCHEMBL8658609 | 0.68 | CA12 (0.45) | CA12CA9L3MBTL1PARP1PARP10 | |
| SCHEMBL442677 | 0.66 | GSK3B (0.57) | CA12CA9PARP3PARP1PARP10 | |
| SCHEMBL1708834 | 0.66 | TSHR (0.44) | PARP3L3MBTL1ALDH1A1ALOX15MAPK10 | |
| SCHEMBL9635081 | 0.66 | CA12 (0.52) | CA12CA9L3MBTL1PARP1PARP10 | |
| SCHEMBL5850195 | 0.66 | RYR2 (0.55) | CA12CA9L3MBTL1PARP1PARP10 |
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-0368063-B1 | PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| US-4990707-A | Process for the ring chlorination of aromatic hydrocarbons | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| EP-0368063-A1 | Process for the chlorination in the nucleus of aromatic hydrocarbons | BAYER AG (DE) | 1990-05-16 | — | — | EP | disclosed |