Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3436285 | 0.82 | ADRB1 (0.46) | ALDH1A1KMT2AARADRB1HTR7 | |
| SCHEMBL17518821 | 0.82 | SLC6A2 (0.57) | SLC6A2SLC6A4HTR7 | |
| SCHEMBL17516286 | 0.82 | AR (0.41) | MEN1ALDH1A1KMT2AARSLC6A2 | |
| SCHEMBL8918158 | 0.77 | CA1 (0.49) | CA1CA2CA4CA9 | |
| SCHEMBL903058 | 0.76 | ABCB1 (0.47) | — | |
| SCHEMBL11572447 | 0.76 | ABCB1 (0.47) | — | |
| SCHEMBL13999773 | 0.75 | ADRB1 (0.47) | ALDH1A1KMT2AARADRB1LMNA | |
| SCHEMBL6244506 | 0.75 | MC4R (0.49) | CA1CA2CA4CA9 | |
| SCHEMBL7691678 | 0.75 | CHRNB2 (0.47) | MEN1ALDH1A1KMT2AARSLC6A2 | |
| SCHEMBL3436435 | 0.74 | AR (0.48) | ALDH1A1ARADRB1LMNAMCOLN3 |
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-2978425-B1 | FACTOR XIA INHIBITORS | MERCK SHARP & DOHME (US) | 2017-09-27 | — | — | EP | disclosed |