Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.51 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NCF1 | P14598 | 1/20 | 0.50 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL219324 | 0.92 | PDGFRB (0.59) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| Benzene SCHEMBL28101215 | 0.90 | PDGFRB (0.58) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL11881983 | 0.90 | PDGFRB (0.58) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| Ammonia Solution, Strong SCHEMBL1598970 | 0.90 | PDGFRB (0.58) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL29522997 | 0.90 | PDGFRB (0.58) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| Ethane SCHEMBL27318292 | 0.90 | PDGFRB (0.58) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| SCHEMBL2868668 | 0.89 | CYP3A4 (0.51) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| Ethylene SCHEMBL27787596 | 0.88 | PDGFRB (0.56) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| Quinoline SCHEMBL10706605 | 0.87 | ALDH1A1 (0.59) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A | |
| Pyridine SCHEMBL28992130 | 0.84 | PDGFRB (0.54) | CYP3A4PDGFRBPDGFRAALDH1A1RAB9A |
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-106749004-A | A kind of synthetic method of fluorescent molecular probe and the detection to chloride ion content in actual water sample | 兰州大学 | 2017-05-31 | — | — | CN | disclosed |