Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CCR1 | P32246 | 3/20 | 0.45 |
| ▸ | CCR5 | P51681 | 3/20 | 0.45 |
| ▸ | CCR8 | P51685 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.45 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 6/20 | 0.44 |
| ▸ | KLK3 | P07288 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30567673 | 0.80 | KDM4E (0.52) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL2159941 | 0.80 | KDM4E (0.52) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL17619611 | 0.78 | SMN1; SMN2 (0.50) | KDM4ELMNAPOLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL15048579 | 0.78 | RET (0.50) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL15048524 | 0.77 | KLK3 (0.42) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL25434077 | 0.76 | KDM4E (0.48) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL24404819 | 0.75 | KDM4E (0.50) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL2160020 | 0.74 | KDM4E (0.45) | KDM4ELMNACCR1CCR5CCR8 | |
| SCHEMBL22659232 | 0.74 | PDE1A (0.41) | KDM4ELMNACYP1A2ATMALOX15 | |
| SCHEMBL15048543 | 0.74 | HTR2C (0.49) | KDM4ELMNACCR1CCR5CCR8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | claimed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | claimed |
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | disclosed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |