Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.59 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | RAD52 | P43351 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | PTGIR | P43119 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.50 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28032662 | 0.85 | ALDH1A1 (0.63) | HRH3TSHRALDH1A1KDM4EHDAC6 | |
| SCHEMBL7934201 | 0.85 | SMN1; SMN2 (0.64) | HRH3TSHRALDH1A1KDM4E | |
| SCHEMBL29127455 | 0.82 | HRH3 (0.54) | HRH3TSHRALDH1A1KDM4ECYP2D6 | |
| SCHEMBL27795418 | 0.80 | SMN1; SMN2 (0.65) | HRH3TSHRALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL6057466 | 0.79 | HRH3 (0.71) | HRH3HRH4TSHRACHERAD52 | |
| SCHEMBL11201497 | 0.78 | HRH3 (0.94) | HRH3HRH4ALDH1A1KDM4EMBTD1 | |
| SCHEMBL27993741 | 0.78 | SMN1; SMN2 (0.58) | HRH3TSHRKDM4E | |
| SCHEMBL6058205 | 0.77 | HRH3 (0.75) | HRH3HRH4TSHRACHERAD52 | |
| SCHEMBL6057447 | 0.77 | HRH3 (0.75) | HRH3HRH4TSHRACHERAD52 | |
| Hydrochloric Acid SCHEMBL11196296 | 0.76 | HRH3 (0.90) | HRH3HRH4ALDH1A1KDM4EMBTD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796456-A | New anticancer compound and application thereof | 石家庄蒎格医药科技有限公司 | 2019-05-24 | — | — | CN | disclosed |