Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14698199 | 0.84 | ITGB3 (0.47) | ALDH1A1MEN1KMT2A | |
| SCHEMBL18685665 | 0.81 | CHRM2 (0.41) | HTTALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL15247085 | 0.81 | CHRM2 (0.41) | HTTALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL19880058 | 0.81 | CHRM2 (0.41) | HTTALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL15492415 | 0.81 | CHRM2 (0.41) | HTTALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL23424118 | 0.81 | CHRM2 (0.41) | HTTALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL19404105 | 0.81 | CHRM2 (0.41) | HTTALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL1421902 | 0.81 | CHRM2 (0.41) | HTTALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL29572047 | 0.79 | CHRM2 (0.40) | HTTALDH1A1SMN1; SMN2TSHRPOLB | |
| SCHEMBL5339321 | 0.79 | SMN1; SMN2 (0.42) | HTTALDH1A1SMN1; SMN2HPGDL3MBTL1 |
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 |