Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 4/20 | 0.48 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.43 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.43 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.40 |
| ▸ | DPYD | Q12882 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3251013 | 0.83 | GRIK1 (0.50) | IP6K1IP6K3IP6K2PADI4DPYD | |
| SCHEMBL3251008 | 0.83 | GRIK1 (0.50) | IP6K1IP6K3IP6K2PADI4DPYD | |
| SCHEMBL3255436 | 0.81 | GABRA1 (0.45) | IP6K1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL3255440 | 0.81 | GABRA1 (0.45) | IP6K1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL14623782 | 0.80 | MMP1 (0.49) | ALDH1A1KDM4ELMNAMAPTHPGD | |
| SCHEMBL13356188 | 0.80 | IP6K1 (0.39) | IP6K1IP6K3IP6K2PADI4DPYD | |
| SCHEMBL3255154 | 0.79 | IP6K1 (0.39) | IP6K1IP6K3IP6K2PADI4GRIK1 | |
| SCHEMBL14624379 | 0.78 | CHEK1 (0.51) | RAB9AALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL14623787 | 0.78 | MEN1 (0.54) | RAB9AALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL14623074 | 0.76 | LMNA (0.49) | ALDH1A1LMNAMAPTHPGDMEN1 |
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-2007003611-A1 | PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS | PIERRE FABRE MEDICAMENT (FR) | 2007-01-11 | — | — | WO | disclosed |