Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27713416 | 1.00 | ALDH1A1 (0.40) | ALDH1A1AKT1POLBCYP3A4CYP2C9 | |
| SCHEMBL27733735 | 0.88 | ALDH1A1 (0.37) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27713389 | 0.88 | ALDH1A1 (0.37) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28775111 | 0.86 | ALDH1A1 (0.46) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27713377 | 0.76 | ALDH1A1 (0.42) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27733741 | 0.76 | ALDH1A1 (0.42) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27733866 | 0.76 | KMT2A (0.38) | ALDH1A1AKT1CTSSL3MBTL1SYK | |
| SCHEMBL28770888 | 0.76 | KMT2A (0.38) | ALDH1A1AKT1CTSSL3MBTL1SYK | |
| SCHEMBL13244923 | 0.67 | MAPK1 (0.44) | KMT2AMAPK1JAK2JAK1 | |
| SCHEMBL3975093 | 0.67 | MEN1 (0.43) | ALDH1A1CYP2C19KMT2ANPC1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101189222-B | Tri-, tetra-substituted-3-aminopyrrolidine derivative | DAIICHI SANKYO CO LTD | 2013-01-02 | — | — | CN | disclosed |
| CN-101189222-A | Tri-, tetra-substituted-3-aminopyrrolidine derivative | DAIICHI SEIYAKU CO (JP) | 2008-05-28 | — | — | CN | disclosed |