Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27962508 | 0.84 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL28138536 | 0.81 | CCNC (0.32) | CYP1A2CYP2D6 | |
| SCHEMBL28080968 | 0.80 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL5770188 | 0.78 | ESR2 (0.47) | IDO1SMN1; SMN2BACE1HDAC4HDAC2 | |
| SCHEMBL28278606 | 0.77 | HRH3 (0.36) | — | |
| SCHEMBL27941986 | 0.76 | KIT (0.46) | SMN1; SMN2ALDH1A1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL27962543 | 0.73 | HDAC4 (0.43) | SMN1; SMN2ALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL28080958 | 0.72 | NR4A2 (0.42) | SMN1; SMN2ALDH1A1BACE1HDAC4HDAC2 | |
| Trifluoroacetic Acid SCHEMBL28139227 | 0.70 | ITGB3 (0.36) | BACE1 | |
| SCHEMBL1641142 | 0.67 | CES2 (0.61) | ALDH1A1CYP1A2CYP2C19RAB9A |
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-103804108-B | A kind of method preparing primary amine | 沈阳药科大学 | 2016-08-03 | — | — | CN | disclosed |