Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 9/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | ESRRB | O95718 | 3/20 | 0.35 |
| ▸ | ESRRG | P62508 | 2/20 | 0.34 |
| ▸ | ESRRA | P11474 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PLD2 | O14939 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | PLD1 | Q13393 | 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 | |
|---|---|---|---|---|
| SCHEMBL10990324 | 0.86 | SLC6A4 (0.42) | SLC6A4HRH3ALDH1A1 | |
| SCHEMBL10993415 | 0.86 | SLC6A4 (0.42) | SLC6A4HRH3KMT2AALDH1A1MAPT | |
| SCHEMBL10985109 | 0.85 | HRH3 (0.39) | SLC6A4HRH3 | |
| SCHEMBL11034636 | 0.85 | SLC6A4 (0.43) | SLC6A4HRH3CYP3A4 | |
| SCHEMBL10984411 | 0.85 | SLC6A4 (0.43) | SLC6A4HRH3KDM4E | |
| SCHEMBL10986747 | 0.85 | SLC6A4 (0.43) | SLC6A4HRH3MEN1KMT2AALDH1A1 | |
| SCHEMBL10984555 | 0.84 | SLC6A4 (0.45) | SLC6A4HRH3KDM4ELMNAOPRM1 | |
| SCHEMBL10994762 | 0.83 | CHRNB2 (0.51) | KDM4ECYP3A4 | |
| SCHEMBL10991354 | 0.82 | SLC6A4 (0.45) | SLC6A4HRH3 | |
| SCHEMBL10982830 | 0.82 | TSHR (0.41) | MEN1KMT2AKDM4ETP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4500541-A | Pharmacologically active cyclopropane derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-02-19 | — | — | US | disclosed |
| EP-0039771-B1 | CYCLOPROPANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PRODUCTION | MERCK PATENT GmbH (DE) | 1983-10-19 | — | — | EP | disclosed |
| EP-0039771-A1 | Cyclopropane derivatives, pharmaceutical compositions containing them and processes for their production | MERCK PATENT GmbH (DE) | 1981-11-18 | — | — | EP | disclosed |