Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.41 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26258441 | 0.95 | KMT2A (0.48) | ALDH1A1HSD17B10HPGDGAAKMT2A | |
| SCHEMBL6039590 | 0.81 | KMT2A (0.46) | ALDH1A1KMT2AHCRTR2HTTMAPK1 | |
| SCHEMBL11757120 | 0.80 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDGAAKMT2A | |
| SCHEMBL30009255 | 0.80 | EPHX2 (0.49) | ALDH1A1HSD17B10HPGDGAAKMT2A | |
| SCHEMBL7107767 | 0.79 | ALDH1A1 (0.57) | ALDH1A1HSD17B10HPGDGAAKMT2A | |
| SCHEMBL20203666 | 0.79 | ALDH1A1 (0.57) | ALDH1A1HSD17B10HPGDGAAKMT2A | |
| SCHEMBL5495409 | 0.79 | POLB (0.53) | ALDH1A1KMT2AEPHX2 | |
| SCHEMBL2422744 | 0.79 | ACE (0.48) | HSD17B10KMT2A | |
| SCHEMBL5658502 | 0.79 | HRH3 (0.48) | ALDH1A1KMT2AHCRTR2HTT | |
| SCHEMBL2422749 | 0.79 | ACE (0.48) | HSD17B10KMT2A |
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 |