Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 13/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 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 | |
|---|---|---|---|---|
| SCHEMBL7316576 | 0.88 | CYP2D6 (0.41) | PDK2CHRM3CYP1A2CYP2C19KMT2A | |
| SCHEMBL7316883 | 0.76 | OPRM1 (0.41) | PDK2KMT2ATHRBTDP1ALDH1A1 | |
| SCHEMBL7313758 | 0.71 | THRB (0.43) | PDK2THRBTDP1ALDH1A1 | |
| SCHEMBL27818261 | 0.71 | MEN1 (0.34) | PDK2KMT2ATHRBTDP1ELANE | |
| SCHEMBL7320674 | 0.70 | SLC1A3 (0.33) | CHRM3CYP1A2CYP2C19KMT2ACYP2D6 | |
| SCHEMBL7320664 | 0.70 | SLC1A3 (0.33) | CHRM3CYP1A2CYP2C19KMT2ACYP2D6 | |
| SCHEMBL7314142 | 0.69 | PDK2 (0.40) | PDK2CHRM3KMT2ATHRBTDP1 | |
| SCHEMBL7316321 | 0.68 | THRB (0.39) | PDK2KMT2ATHRBTDP1MAPT | |
| SCHEMBL7316444 | 0.67 | PDK2 (0.47) | PDK2KMT2AMAPT | |
| SCHEMBL7319520 | 0.67 | PDK2 (0.44) | PDK2 |
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 |