Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27005881 | 0.85 | BCL2 (0.41) | RAB9AMAPTDEGS1 | |
| SCHEMBL24444990 | 0.82 | HCAR3 (0.39) | MAPTTDO2 | |
| SCHEMBL15785516 | 0.80 | — | — | |
| SCHEMBL15079563 | 0.77 | L3MBTL1 (0.40) | PTK2CYP1A2GAARAB9AL3MBTL1 | |
| SCHEMBL22084822 | 0.76 | — | — | |
| SCHEMBL7876853 | 0.76 | KMT2A (0.37) | KMT2A | |
| SCHEMBL19418256 | 0.76 | KMT2A (0.42) | KDM4EKMT2AL3MBTL1 | |
| SCHEMBL8064319 | 0.76 | MAPK1 (0.50) | CYP1A2KDM4EKMT2AMAPTL3MBTL1 | |
| SCHEMBL23341275 | 0.75 | PIP5K1C (0.40) | CYP1A2KDM4ERAB9AMAPTNPC1 | |
| SCHEMBL8065893 | 0.75 | KDM4E (0.37) | KDM4ESMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2719697-B1 | PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF | XUANZHU PHARMA CO LTD (CN) | 2018-08-01 | — | — | EP | disclosed |
| WO-2013071698-A1 | THREE-RING PI3K AND/OR MTOR INHIBITOR | 山东轩竹医药科技有限公司 (CN) | 2013-05-23 | — | — | WO | disclosed |