Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | PDK2 | Q15119 | 7/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29380665 | 0.82 | PDK2 (0.49) | CYP2D6PDK2THRBTDP1APEX1 | |
| SCHEMBL2240416 | 0.82 | PDK2 (0.49) | CYP2D6PDK2THRBTDP1APEX1 | |
| SCHEMBL7316576 | 0.75 | CYP2D6 (0.41) | CYP2D6PDK2THRBTDP1APEX1 | |
| SCHEMBL23746045 | 0.73 | CYP2D6 (0.50) | CYP2D6PDK2THRBTDP1HDAC4 | |
| SCHEMBL7321773 | 0.73 | PDK2 (0.51) | CYP2D6PDK2THRBTDP1ALDH1A1 | |
| SCHEMBL7313945 | 0.72 | PDK2 (0.46) | PDK2THRBTDP1HDAC4ALDH1A1 | |
| SCHEMBL198461 | 0.70 | CSNK2A2 (0.52) | CYP2D6PDK2GABRA1GABRB2ALDH1A1 | |
| SCHEMBL8036444 | 0.70 | CYP1A2 (0.65) | CYP2D6PDK2THRBTDP1APEX1 | |
| SCHEMBL14970802 | 0.70 | PDK2 (0.46) | PDK2THRBTDP1APEX1ALDH1A1 | |
| SCHEMBL2454330 | 0.70 | THRB (0.56) | PDK2THRBTDP1HDAC4APEX1 |
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 |