Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27713377 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP3A4POLBCYP2C9CYP2C19 | |
| SCHEMBL27733735 | 0.87 | ALDH1A1 (0.37) | ALDH1A1CYP3A4POLBCYP2C9CYP2C19 | |
| SCHEMBL27713389 | 0.87 | ALDH1A1 (0.37) | ALDH1A1CYP3A4POLBCYP2C9CYP2C19 | |
| SCHEMBL28775111 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CYP3A4POLBCYP2C9CYP2C19 | |
| SCHEMBL28770888 | 0.78 | KMT2A (0.38) | ALDH1A1SIGMAR1KMT2A | |
| SCHEMBL27733866 | 0.78 | KMT2A (0.38) | ALDH1A1SIGMAR1KMT2A | |
| SCHEMBL27713416 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP3A4POLBCYP2C9CYP2C19 | |
| SCHEMBL27733729 | 0.76 | ALDH1A1 (0.40) | ALDH1A1CYP3A4POLBCYP2C9CYP2C19 | |
| SCHEMBL6627459 | 0.69 | ALDH1A1 (0.43) | ALDH1A1DHFR | |
| SCHEMBL5871291 | 0.66 | NPC1 (0.39) | ALDH1A1CYP2C19NPC1RAB9ASMN1; SMN2 |
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 |