Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CCR8 | P51685 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | METAP1 | P53582 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.46 |
| ▸ | CBFB | Q13951 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29419032 | 0.96 | KDM4E (0.56) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL349543 | 0.96 | KDM4E (0.56) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL8857926 | 0.94 | KDM4E (0.55) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL29224593 | 0.94 | KDM4E (0.55) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL29169401 | 0.94 | KDM4E (0.55) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL28717929 | 0.94 | KDM4E (0.55) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL14677966 | 0.94 | KDM4E (0.55) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL27971454 | 0.94 | KDM4E (0.55) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL4706782 | 0.89 | KDM4E (0.50) | KDM4ENPC1LMNACCR1CCR5 | |
| SCHEMBL29004412 | 0.81 | KDM4E (0.43) | KDM4ENPC1LMNACCR1CCR5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110325218-A | CUCURBITURIL-BASED HYDROGELS | 奥伦·谢尔曼 | 2019-10-11 | — | — | CN | disclosed |
| CN-104968712-B | Nested supermolecule capsule | 剑桥实业有限公司 | 2017-06-09 | — | — | CN | disclosed |
| CN-104968712-A | Nested supramolecular capsules | CAMBRIDGE ENTPR LTD | 2015-10-07 | — | — | CN | disclosed |