Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | KDM4B | O94953 | 1/20 | 0.32 |
| ▸ | KDM5C | P41229 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 2/20 | 0.30 |
| ▸ | RAD52 | P43351 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Purine SCHEMBL29456595 | 0.87 | — | — | |
| Purine SCHEMBL6421376 | 0.87 | KDM4A (0.38) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Purine SCHEMBL3157 | 0.87 | — | — | |
| Purine SCHEMBL2120547 | 0.87 | KDM4A (0.38) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Purine SCHEMBL6438162 | 0.85 | KDM4A (0.37) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Purine SCHEMBL5611476 | 0.85 | KDM4A (0.37) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Purine SCHEMBL37119 | 0.85 | KDM4A (0.37) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Purine SCHEMBL7787135 | 0.85 | KDM4A (0.37) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Purine SCHEMBL9057416 | 0.85 | KDM4A (0.37) | KDM4EMAPTALDH1A1APEX1RECQL | |
| Purine SCHEMBL1150716 | 0.85 | KDM4A (0.37) | KDM4EMAPTALDH1A1APEX1RECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011113066-A1 | METHODS AND SYSTEMS USING INTEGRATED METABOLOMICS AND PHARMACOKINETICS FOR MULTI-COMPONENT DRUG EVALUATION | THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) | 2011-09-15 | — | — | WO | disclosed |