Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 2/20 | 0.40 |
| ▸ | F13A1 | P00488 | 1/20 | 0.40 |
| ▸ | TGM1 | P22735 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28045443 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A | |
| SCHEMBL21573938 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A | |
| SCHEMBL13684203 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A | |
| SCHEMBL541750 | 0.78 | HCAR2 (0.51) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A | |
| SCHEMBL3081849 | 0.77 | HCAR2 (0.47) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A | |
| SCHEMBL8651697 | 0.77 | HCAR2 (0.50) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A | |
| SCHEMBL928852 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A | |
| SCHEMBL3228835 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HCAR2L3MBTL1MAPK1LMNA | |
| SCHEMBL10414190 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A | |
| SCHEMBL7424413 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HCAR2L3MBTL1MAPK1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2734529-A1 | BTK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-05-28 | — | — | EP | disclosed |
| WO-2013010380-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-01-24 | — | — | WO | disclosed |