Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | METAP1 | P53582 | 4/20 | 0.49 |
| ▸ | CCR1 | P32246 | 3/20 | 0.49 |
| ▸ | CCR5 | P51681 | 3/20 | 0.49 |
| ▸ | CCR8 | P51685 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | CBFB | Q13951 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7952022 | 0.91 | KDM4E (0.70) | KDM4ENPC1METAP1CCR1CCR5 | |
| SCHEMBL21941944 | 0.87 | METAP1 (0.57) | KDM4ENPC1METAP1CCR1CCR5 | |
| SCHEMBL7237961 | 0.83 | KDM4E (0.55) | KDM4ENPC1METAP1CCR1CCR5 | |
| SCHEMBL7235358 | 0.83 | KDM4E (0.51) | KDM4ENPC1METAP1CCR1CCR5 | |
| SCHEMBL7965339 | 0.79 | KDM4E (0.81) | KDM4ENPC1METAP1CCR1CCR5 | |
| SCHEMBL7963689 | 0.76 | KDM4E (0.75) | KDM4ENPC1METAP1CCR1CCR5 | |
| SCHEMBL21174606 | 0.75 | METAP1 (0.47) | KDM4ENPC1METAP1CCR1CCR5 | |
| SCHEMBL4075083 | 0.74 | KDM4E (1.00) | KDM4ENPC1METAP1CCR1CCR5 | |
| SCHEMBL6305952 | 0.74 | KDM4E (0.74) | KDM4ENPC1LMNASMN1; SMN2TDP1 | |
| SCHEMBL21941951 | 0.73 | METAP1 (0.50) | KDM4ENPC1METAP1CCR1CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| US-6548499-B1 | N-(1-Azabicyclo(2.2.2)octanyl-3-pyridinyl)-3-(2-pyridinyl)-2 -quinoxalinamine, for example; treating various chemokine mediated diseases | MILLENNIUM PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |
| WO-1999042463-A1 | SUBSTITUTED QUINOXALINE DERIVATIVES AS INTERLEUKIN-8 RECEPTOR ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1999-08-26 | — | — | WO | disclosed |