Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | ANPEP | P15144 | 3/20 | 0.51 |
| ▸ | DPP4 | P27487 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7900508 | 0.80 | ESR1 (0.62) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL3024023 | 0.78 | APP (0.66) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL9632877 | 0.77 | ESR1 (0.96) | ESR1ESR2ANPEPDPP4 | |
| SCHEMBL24167716 | 0.76 | ALDH1A1 (0.56) | ANPEPDPP4MEN1KMT2ACRBN | |
| SCHEMBL5530724 | 0.75 | ESR1 (1.00) | ESR1ESR2ANPEPDPP4MEN1 | |
| SCHEMBL22475767 | 0.74 | CA9 (0.51) | MAOAMAOBCA1CA2CA7 | |
| SCHEMBL9126362 | 0.74 | S100A4 (0.52) | MEN1KMT2A | |
| SCHEMBL12235640 | 0.74 | POLB (0.62) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL21976969 | 0.74 | ANPEP (0.55) | ESR1ESR2MAOAUGT1A1MAOB | |
| SCHEMBL24414629 | 0.74 | ESR1 (0.57) | ESR1ESR2MAOAUGT1A1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-5821256-A | Endothelin receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-10-13 | — | — | US | disclosed |
| EP-0758650-A1 | Endothelin receptor antagonists | MERCK PATENT GmbH (DE) | 1997-02-19 | — | — | EP | disclosed |