Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.44 |
| ▸ | CCR5 | P51681 | 3/20 | 0.44 |
| ▸ | CCR8 | P51685 | 3/20 | 0.44 |
| ▸ | METAP1 | P53582 | 2/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | CBFB | Q13951 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10389484 | 0.82 | ADORA3 (0.55) | CCR1CCR5CCR8METAP1KDM4E | |
| SCHEMBL935711 | 0.82 | CCR1 (0.56) | CCR1CCR5CCR8METAP1METAP2 | |
| Hydrochloric Acid SCHEMBL11361908 | 0.81 | CCR1 (0.42) | CCR1CCR5CCR8METAP1KDM4E | |
| Hydrochloric Acid SCHEMBL11370119 | 0.81 | CCR1 (0.54) | CCR1CCR5CCR8METAP1METAP2 | |
| SCHEMBL11367963 | 0.77 | CCR1 (0.45) | CCR1CCR5CCR8METAP1METAP2 | |
| SCHEMBL935285 | 0.76 | MEN1 (0.57) | METAP1KDM4ELMNAL3MBTL1SMN1; SMN2 | |
| SCHEMBL7549266 | 0.76 | CCR1 (0.64) | CCR1CCR5CCR8METAP1METAP2 | |
| SCHEMBL8221653 | 0.75 | CCR1 (0.42) | CCR1CCR5CCR8METAP1KDM4E | |
| SCHEMBL11381433 | 0.74 | SYK (0.58) | CCR1CCR5CCR8METAP1KDM4E | |
| SCHEMBL11371057 | 0.74 | KDM4E (0.49) | CCR1CCR5CCR8METAP1METAP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011006536-A1 | PYRIDYL-SUBSTITUTED ISOQUINOLINE DERIVATIVES WITH ACTIVITY AGAINSTMYCOBACTERIAAND ESPECIALLY MYOBACTERIUM TUBERCULOSIS | DAFRA PHARMA N.V. (BE) | 2011-01-20 | — | — | WO | disclosed |