Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7826498 | 0.91 | GAA (0.40) | KMT2AALDH1A1MGAMGAASI | |
| SCHEMBL6483909 | 0.83 | KMT2A (0.41) | KMT2AALDH1A1MGAMGAASI | |
| SCHEMBL11094400 | 0.81 | KMT2A (0.40) | KMT2AALDH1A1MGAMGAASI | |
| SCHEMBL3649459 | 0.80 | KMT2A (0.39) | KMT2AALDH1A1MGAMGAASI | |
| SCHEMBL7608083 | 0.79 | KMT2A (0.41) | KMT2AALDH1A1MGAMGAASI | |
| SCHEMBL15876257 | 0.79 | KMT2A (0.42) | KMT2AALDH1A1MGAMGAASI | |
| SCHEMBL17047069 | 0.77 | CHRM1 (0.38) | KMT2AALDH1A1CYP2D6CHRM2CHRM4 | |
| SCHEMBL17047071 | 0.77 | CHRM1 (0.38) | KMT2AALDH1A1CYP2D6CHRM2CHRM4 | |
| SCHEMBL901251 | 0.77 | KMT2A (0.39) | KMT2AALDH1A1MGAMGAASI | |
| SCHEMBL27863456 | 0.77 | KMT2A (0.39) | KMT2AALDH1A1MGAMGAASI |
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 |
|---|---|---|---|---|---|---|---|
| CN-106029649-B | Ethynyl derivatives | 豪夫迈·罗氏有限公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-106029649-A | Ethynyl derivatives | 豪夫迈·罗氏有限公司 | 2016-10-12 | — | — | CN | disclosed |