Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 6/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27851984 | 0.80 | PTPRC (0.55) | ALDH1A1MAPTPTPRCSMN1; SMN2CYP2C19 | |
| SCHEMBL27868930 | 0.77 | ALDH1A1 (0.39) | ALDH1A1MAPTHTTKDM4ETDP1 | |
| SCHEMBL27851969 | 0.76 | ALDH1A1 (0.36) | ALDH1A1MAPTGAASMN1; SMN2HTT | |
| SCHEMBL17239860 | 0.74 | SMN1; SMN2 (0.43) | ALDH1A1MAPTPTPRCCYP19A1GAA | |
| SCHEMBL287072 | 0.71 | CYP2C19 (0.39) | ALDH1A1MAPTGAASMN1; SMN2HTT | |
| SCHEMBL287071 | 0.71 | CYP2C19 (0.39) | ALDH1A1MAPTGAASMN1; SMN2HTT | |
| SCHEMBL12350175 | 0.69 | ALDH1A1 (0.43) | ALDH1A1MAPTGAASMN1; SMN2HTT | |
| SCHEMBL27851981 | 0.69 | ALDH1A1 (0.43) | ALDH1A1MAPTGAASMN1; SMN2HTT | |
| SCHEMBL31038446 | 0.68 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP19A1TDP1RAB9A | |
| SCHEMBL1507179 | 0.68 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP19A1TDP1RAB9A |
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-102421760-A | Dihydropyrimidinones useful as BACE2 inhibitors | HOFFMANN LA ROCHE | 2012-04-18 | — | — | CN | disclosed |