Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14317672 | 0.75 | CYP1A2 (0.47) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL10083333 | 0.73 | AKR1C3 (0.63) | CYP1A2PDGFRBPDGFRAMGAMAKR1C3 | |
| SCHEMBL15570692 | 0.72 | CYP1A2 (0.49) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL7000331 | 0.72 | SIGMAR1 (0.46) | CYP1A2ALDH1A1HTR3ANPSR1CYP11B1 | |
| SCHEMBL7203556 | 0.72 | CHRNB2 (0.48) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| Hydrochloric Acid SCHEMBL6999738 | 0.71 | OPRM1 (0.47) | CYP1A2ALDH1A1HTR3ANPSR1CYP11B1 | |
| SCHEMBL9326007 | 0.70 | HTR3A (0.54) | CYP1A2MGAMHTR3ACNR2 | |
| SCHEMBL9721851 | 0.69 | NPSR1 (0.47) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL130913 | 0.69 | CYP1A2 (0.57) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL438735 | 0.69 | CYP1A2 (0.57) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 |
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-105130966-B | Alkynyl compounds and its application method and purposes | 广东东阳光药业有限公司 | 2019-05-24 | — | — | CN | disclosed |