Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1138684 | 0.82 | CYP2C19 (0.55) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL2298437 | 0.82 | CYP2C19 (0.55) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL1143912 | 0.82 | CYP2C19 (0.55) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL1144055 | 0.81 | CYP2C19 (0.37) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL350882 | 0.81 | CYP2C19 (0.53) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8538776 | 0.81 | CYP2C19 (0.53) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL1144491 | 0.81 | CYP2C19 (0.53) | KCNN4CYP2C19HIF1ACYP1A2CYP2D6 | |
| SCHEMBL27427029 | 0.80 | CYP2D6 (0.41) | KCNN4CYP2C19HIF1APOLBCYP1A2 | |
| SCHEMBL19292592 | 0.78 | CYP2C19 (0.55) | KCNN4CYP2C19HIF1APOLBCYP1A2 | |
| SCHEMBL287262 | 0.78 | MEN1 (0.48) | CYP2C19HIF1APOLBCYP1A2CYP2D6 |
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 |