Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9059286 | 0.89 | ESR1 (0.55) | ESR1ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29291899 | 0.87 | ESR1 (0.68) | ESR1ESR2KMT2ASMN1; SMN2LMNA | |
| SCHEMBL11542944 | 0.84 | SLC6A4 (0.56) | ESR1ESR2KMT2ASMN1; SMN2LMNA | |
| SCHEMBL29291901 | 0.80 | ESR1 (0.59) | ESR1ESR2SMN1; SMN2GAA | |
| SCHEMBL13376416 | 0.79 | ESR1 (0.39) | ESR1ESR2NPC1KMT2ASMN1; SMN2 | |
| SCHEMBL1838502 | 0.79 | ESR1 (0.86) | ESR1ESR2KMT2ALMNASLC6A2 | |
| SCHEMBL10839469 | 0.76 | SLC6A4 (0.54) | ESR1ESR2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27575390 | 0.76 | CHRM1 (0.48) | ESR1ESR2NPC1KMT2ASMN1; SMN2 | |
| SCHEMBL3989199 | 0.76 | ADRA2A (0.48) | ESR1ESR2KMT2ASMN1; SMN2LMNA | |
| SCHEMBL1760718 | 0.74 | CYP3A4 (0.46) | ESR1ESR2SMN1; SMN2LMNAHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2426122-A1 | Methylene urea derivative as RAF kinasse inhibitors | Merck Patent GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |