Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | BCR | P11274 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 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 | |
|---|---|---|---|---|
| SCHEMBL8501250 | 0.89 | PIN1 (0.47) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8497285 | 0.87 | PIN1 (0.46) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL224709 | 0.82 | GSTP1 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19GSTP1 | |
| SCHEMBL29511345 | 0.76 | SMN1; SMN2 (0.53) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10607895 | 0.76 | CA12 (0.56) | CYP1A2CYP2D6KMT2AMEN1CA12 | |
| Hydrochloric Acid SCHEMBL11328506 | 0.74 | CA12 (0.54) | CYP1A2CYP2D6KMT2AMEN1CA12 | |
| SCHEMBL17599105 | 0.74 | CYP1A1 (0.71) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL679848 | 0.74 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8497623 | 0.72 | CA1 (0.56) | CYP1A2CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL22280547 | 0.72 | ESR2 (0.65) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 |
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-105220448-B | The method of material surface modifying associated with plasma and chemical method | 哈尔滨工业大学 | 2017-08-25 | — | — | CN | disclosed |