Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 8/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7313071 | 0.81 | PDK2 (0.57) | PDK2NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL813078 | 0.80 | THRB (0.52) | PDK2TDP1THRBP2RX1P2RX3 | |
| SCHEMBL30345614 | 0.80 | THRB (0.52) | PDK2TDP1THRBP2RX1P2RX3 | |
| SCHEMBL27643267 | 0.80 | THRB (0.46) | PDK2TDP1THRBP2RX1P2RX3 | |
| SCHEMBL27748647 | 0.79 | PDK2 (0.42) | PDK2TDP1THRBCA1CA2 | |
| SCHEMBL30217950 | 0.79 | PDK2 (0.42) | PDK2TDP1THRBCA1CA2 | |
| SCHEMBL10338059 | 0.79 | PDK2 (0.42) | PDK2TDP1L3MBTL1THRBP2RX1 | |
| SCHEMBL17816933 | 0.78 | THRB (0.50) | PDK2TDP1THRBP2RX1P2RX3 | |
| SCHEMBL17689699 | 0.78 | ESR1 (0.46) | PDK2NPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4577246 | 0.77 | PDK2 (0.47) | PDK2TDP1L3MBTL1THRBESR1 |
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 |