Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 5/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL29952458 | 0.81 | ESR1 (0.54) | CES1ESR1SRD5A1SRD5A2MAOB | |
| SCHEMBL2063760 | 0.81 | ESR1 (0.54) | CES1ESR1SRD5A1SRD5A2MAOB | |
| SCHEMBL29615759 | 0.77 | CES1 (0.47) | CES1MIFESR1SRD5A1SRD5A2 | |
| SCHEMBL4268656 | 0.77 | CES1 (0.47) | CES1MIFESR1SRD5A1SRD5A2 | |
| SCHEMBL16139564 | 0.74 | CES1 (0.44) | CES1MIFSRD5A1SRD5A2MAOB | |
| SCHEMBL4271075 | 0.73 | LMNA (0.42) | CES1ESR1SRD5A1SRD5A2MAOB | |
| SCHEMBL12797026 | 0.70 | ESR1 (0.56) | CES1MIFESR1MAOBCYP2A6 | |
| SCHEMBL19645160 | 0.69 | CES1 (0.46) | CES1MIFSRD5A1SRD5A2MAOB | |
| SCHEMBL24282949 | 0.69 | ALDH1A1 (0.51) | CES1SRD5A1SRD5A2MAOBCYP2A6 | |
| SCHEMBL24512062 | 0.69 | CES1 (0.35) | CES1MIFESR1RAB9AALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5670522-A | Dopamine receptor subtype ligands | MERCK SHARP & DOHME LIMITED (GB) | 1997-09-23 | — | — | US | disclosed |
| US-5670522-A | Dopamine receptor subtype ligands | MERCK SHARP & DOHME LIMITED (GB) | 1997-09-23 | — | — | US | disclosed |
| EP-0665840-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1995-08-09 | — | — | EP | disclosed |
| EP-0665840-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1995-08-09 | — | — | EP | disclosed |
| WO-1994010162-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |
| WO-1994010162-A1 | DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |