Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9471929 | 0.75 | HTT (0.76) | KDM4EHTTMAPTMAPK8HDAC6 | |
| SCHEMBL3887038 | 0.74 | CXCL8 (0.47) | KDM4EHTTMAPTMAPK8AURKA | |
| SCHEMBL30754775 | 0.73 | MAPT (0.58) | KDM4EHTTMAPTAURKAALDH1A1 | |
| SCHEMBL21497151 | 0.72 | MAPT (0.55) | KDM4EHTTMAPTAURKAHDAC3 | |
| SCHEMBL27863504 | 0.72 | CSNK2A1 (0.40) | KDM4EALDH1A1SMN1; SMN2DHODH | |
| SCHEMBL2880402 | 0.70 | KDM4E (1.00) | KDM4EHTTMAPTMAPK8AURKA | |
| SCHEMBL3893018 | 0.68 | CXCL8 (0.40) | KDM4EHTTMAPTAURKAALDH1A1 | |
| SCHEMBL14392325 | 0.68 | CXCL8 (0.46) | KDM4EHTTMAPTMAPK8AURKA | |
| SCHEMBL9128053 | 0.68 | MAPT (0.53) | KDM4EHTTMAPTMAPK8AURKA | |
| SCHEMBL29529264 | 0.68 | HCAR3 (0.44) | KDM4EMAPK8HDAC3HDAC1HDAC6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9946847-B2 | Libraries of compounds having desired properties and methods for making and using them | BIOBLOCKS INC. (US) | 2018-04-17 | — | — | US | disclosed |
| US-20150269356-A1 | LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM | BIOBLOCKS INC (US) | 2015-09-24 | — | — | US | disclosed |
| US-20150269356-A1 | LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM | BIOBLOCKS INC (US) | 2015-09-24 | — | — | US | disclosed |
| WO-2014047463-A2 | LIBRARIES OF COMPOUNDS HAVING DESIRED PROPERTIES AND METHODS FOR MAKING AND USING THEM | BIOBLOCKS, INC. (US) | 2014-03-27 | — | — | WO | disclosed |