Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | RYR2 | Q92736 | 2/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9636747 | 0.77 | NOTUM (0.65) | NOTUMRAB9ANPC1HPGDKDM4E | |
| SCHEMBL9635236 | 0.73 | NOTUM (0.49) | NOTUMRAB9ANPC1NPSR1HPGD | |
| SCHEMBL3969979 | 0.73 | NOTUM (0.56) | NOTUMRAB9ANPC1NPSR1HPGD | |
| SCHEMBL14259739 | 0.71 | GRM5 (0.36) | RAB9AHPGDKDM4EALDH1A1GRM5 | |
| SCHEMBL13024432 | 0.69 | CES1 (0.48) | ALDH1A1CHRM2HTR1AADRA2ADRD1 | |
| SCHEMBL677630 | 0.68 | GRM5 (0.58) | RAB9ANPC1ALDH1A1GRM5DRD1 | |
| SCHEMBL7417 | 0.67 | VHL (0.56) | NPSR1HPGDKDM4ES100A4ALDH1A1 | |
| SCHEMBL29414923 | 0.67 | VHL (0.56) | NPSR1HPGDKDM4ES100A4ALDH1A1 | |
| SCHEMBL9175822 | 0.66 | CES1 (0.51) | NOTUMNPSR1RYR2S100A4ALDH1A1 | |
| SCHEMBL22565664 | 0.66 | CYP2A6 (0.50) | ALDH1A1GRM5DRD1SLC6A4DRD3 |
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 2 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 |