Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL27733812 | 0.79 | TAAR1 (0.46) | OPRM1OPRD1OPRK1SIGMAR1AOC3 | |
| SCHEMBL6958576 | 0.73 | OPRM1 (0.44) | KCNH2OPRM1DRD3DRD2OPRD1 | |
| SCHEMBL144042 | 0.72 | ALDH1A1 (0.54) | ALDH1A1HPGDSIGMAR1 | |
| SCHEMBL3438768 | 0.72 | HRH3 (0.57) | ALDH1A1HPGDKCNH2SIGMAR1 | |
| SCHEMBL21598302 | 0.71 | ALDH1A1 (0.53) | ALDH1A1HPGDSIGMAR1 | |
| SCHEMBL18301299 | 0.70 | TDP1 (0.53) | ALDH1A1HPGDKCNH2SIGMAR1 | |
| SCHEMBL18511816 | 0.70 | TDP1 (0.61) | ALDH1A1HPGDKCNH2SIGMAR1 | |
| SCHEMBL18483888 | 0.70 | TDP1 (0.61) | ALDH1A1HPGDKCNH2SIGMAR1 | |
| SCHEMBL7905269 | 0.70 | TDP1 (0.61) | ALDH1A1HPGDKCNH2SIGMAR1 | |
| SCHEMBL18874443 | 0.70 | TDP1 (0.61) | ALDH1A1HPGDKCNH2SIGMAR1 |
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 |