Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 16/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.39 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
| ▸ | CDK9 | P50750 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL763152 | 0.91 | IRAK4 (0.40) | IRAK4APAF1TDP2NSD2CASP3 | |
| Hydrochloric Acid SCHEMBL2894708 | 0.90 | IRAK4 (0.41) | IRAK4APAF1TDP2NSD2CASP3 | |
| Hydrochloric Acid SCHEMBL733600 | 0.90 | IRAK4 (0.39) | IRAK4APAF1TDP2NSD2CASP3 | |
| SCHEMBL8229174 | 0.86 | IRAK4 (0.39) | IRAK4PIM1 | |
| Hydrochloric Acid SCHEMBL2430460 | 0.85 | IRAK4 (0.39) | IRAK4PIM1 | |
| SCHEMBL13433702 | 0.85 | PIM1 (0.39) | IRAK4PIM1 | |
| Hydrochloric Acid SCHEMBL3359714 | 0.84 | PIM1 (0.39) | IRAK4PIM1 | |
| SCHEMBL13066834 | 0.83 | TRPA1 (0.38) | IRAK4APAF1TDP2NSD2CASP3 | |
| SCHEMBL749214 | 0.80 | IRAK4 (0.40) | IRAK4 | |
| SCHEMBL4756377 | 0.78 | PIM1 (0.39) | IRAK4PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2816054-A1 | MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS | GINKGO PHARMA CO., LTD. (CN) | 2014-12-24 | — | — | EP | disclosed |
| WO-2013120371-A1 | MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS | 银杏树药业(苏州)有限公司 (CN) | 2013-08-22 | — | — | WO | disclosed |