Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | HTR5A | P47898 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18403613 | 0.77 | PDK2 (0.43) | PDK2PDK4HTR5AATMKMT2A | |
| SCHEMBL22010250 | 0.72 | PDK2 (0.46) | PDK2PDK4HTR5AATMKMT2A | |
| SCHEMBL14612689 | 0.70 | PDK2 (0.50) | PDK2PDK4HTR5AATMKMT2A | |
| SCHEMBL9791466 | 0.68 | PDK2 (0.43) | PDK2PDK4HTR5AATMKMT2A | |
| SCHEMBL29639205 | 0.67 | PDK2 (0.42) | PDK2PDK4HTR5AKMT2AMEN1 | |
| SCHEMBL24166676 | 0.65 | ATM (0.42) | PDK2PDK4HTR5AATMKMT2A | |
| SCHEMBL23260321 | 0.65 | PDK2 (0.41) | PDK2PDK4HTR5AATMKMT2A | |
| SCHEMBL29380784 | 0.65 | PDK2 (0.40) | PDK2PDK4ALDH1A1TDP1 | |
| SCHEMBL2241555 | 0.65 | PDK2 (0.40) | PDK2PDK4ALDH1A1TDP1 | |
| SCHEMBL23936830 | 0.64 | PDK2 (0.52) | PDK2ALDH1A1TDP1 |
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-8648090-B2 | Indole alkaloid derivatives having opioid receptor agonistic effect, and therapeutic compositions and methods relating to same | NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) | 2014-02-11 | — | — | US | disclosed |