Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RYR2 | Q92736 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL21311779 | 0.72 | IDO1 (0.47) | MAPK1KDM4EMAPTTP53CYP1A2 | |
| SCHEMBL14159608 | 0.70 | SIGMAR1 (0.42) | SIGMAR1MAPK1MAPTPRCP | |
| SCHEMBL9636590 | 0.68 | PARP1 (0.53) | SIGMAR1MAPK1KDM4EMAPTHSD17B10 | |
| SCHEMBL6444613 | 0.67 | SIGMAR1 (0.40) | SIGMAR1 | |
| SCHEMBL11879046 | 0.67 | PARP1 (0.47) | MAPK1KDM4EMAPTTP53CYP1A2 | |
| SCHEMBL9635319 | 0.67 | RYR2 (0.38) | RYR2PRCPPNMT | |
| SCHEMBL10119940 | 0.66 | DRD1 (0.43) | MAPK1KDM4EMAPTTP53CYP1A2 | |
| SCHEMBL9636513 | 0.63 | SIGMAR1 (0.34) | SIGMAR1 | |
| SCHEMBL20829573 | 0.62 | DRD1 (0.40) | MAPK1KDM4EMAPTTP53CYP1A2 | |
| SCHEMBL22269747 | 0.62 | DRD1 (0.40) | MAPK1KDM4EMAPTTP53CYP1A2 |
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 |