Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 7/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7316356 | 0.88 | PDK2 (0.40) | CYP2D6PDK2CHRM3THRBTDP1 | |
| SCHEMBL7316883 | 0.78 | OPRM1 (0.41) | PDK2THRBTDP1ALDH1A1KMT2A | |
| SCHEMBL7320649 | 0.75 | CYP2D6 (0.58) | CYP2D6PDK2THRBTDP1ALDH1A1 | |
| SCHEMBL7313758 | 0.73 | THRB (0.43) | PDK2THRBTDP1ALDH1A1APEX1 | |
| SCHEMBL7314142 | 0.71 | PDK2 (0.40) | PDK2CHRM3THRBTDP1ALDH1A1 | |
| SCHEMBL7316321 | 0.70 | THRB (0.39) | PDK2THRBTDP1KMT2AMAPT | |
| SCHEMBL7316444 | 0.69 | PDK2 (0.47) | PDK2KMT2AMAPT | |
| SCHEMBL7319520 | 0.69 | PDK2 (0.44) | PDK2 | |
| SCHEMBL27619850 | 0.69 | PDK2 (0.47) | PDK2THRBTDP1CYP2C19KMT2A | |
| SCHEMBL7321773 | 0.66 | PDK2 (0.51) | CYP2D6PDK2THRBTDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |