Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2937 | 0.98 | CYP1A2 (0.57) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL28166411 | 0.75 | DYRK1A (0.40) | PDGFRBPDGFRAALDH1A1CYP2A6KDM4E | |
| SCHEMBL2772360 | 0.75 | PDGFRB (0.77) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL32667946 | 0.75 | PDGFRB (0.77) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL28213655 | 0.74 | CYP1A2 (0.55) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL28243569 | 0.74 | CYP1A2 (0.50) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL272937 | 0.73 | CYP1A2 (0.59) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL27960103 | 0.72 | PDGFRB (0.67) | CYP1A2PDGFRBPDGFRAMGAMALDH1A1 | |
| SCHEMBL28217663 | 0.72 | NPC1 (0.61) | PDGFRBPDGFRAALDH1A1MAPTKDM4E | |
| SCHEMBL271505 | 0.72 | CYP1A2 (0.53) | 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-103649053-B | Aminomethyl quinolone compounds | 霍夫曼-拉罗奇有限公司 | 2017-07-04 | — | — | CN | disclosed |