Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.41 |
| ▸ | HTR3B | O95264 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20993736 | 0.82 | SLC6A2 (0.55) | ALDH1A1CYP1A2CYP2C19POLB | |
| SCHEMBL5940492 | 0.82 | SLC6A2 (0.55) | ALDH1A1CYP1A2CYP2C19POLB | |
| SCHEMBL4340077 | 0.81 | BLM (0.58) | PKMKIF11RIPK1CTBP2PNMT | |
| SCHEMBL27699328 | 0.81 | BLM (0.58) | PKMKIF11RIPK1CTBP2PNMT | |
| SCHEMBL6340256 | 0.81 | BLM (0.58) | PKMKIF11RIPK1CTBP2PNMT | |
| SCHEMBL28100624 | 0.81 | SLC6A4 (0.56) | KIF11ALDH1A1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL4619273 | 0.80 | BLM (0.56) | PKMKIF11RIPK1CTBP2PNMT | |
| SCHEMBL28888862 | 0.79 | PKM (0.51) | PKMKIF11RIPK1CTBP2PNMT | |
| SCHEMBL21313898 | 0.78 | RIPK1 (0.52) | PKMKIF11RIPK1CTBP2PNMT | |
| SCHEMBL5222434 | 0.77 | SLC6A2 (0.59) | PKMPNMTALDH1A1HTR3EHTR3B |
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 |