Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | MELK | Q14680 | 1/20 | 0.32 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | PAK4 | O96013 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6230711 | 0.76 | MEN1 (0.37) | PARP1ALDH1A1AURKAAURKBTDP1 | |
| SCHEMBL4752983 | 0.76 | PARP1 (0.37) | PARP1 | |
| SCHEMBL6587215 | 0.76 | PLAUR (0.31) | — | |
| SCHEMBL4750499 | 0.76 | CES1 (0.44) | PARP1AURKARPS6KA3JAK2DAPK3 | |
| SCHEMBL4752467 | 0.72 | CES1 (0.41) | PARP1ALDH1A1TDP1HPGDHSD17B10 | |
| SCHEMBL5132320 | 0.72 | TDP1 (0.44) | PARP1ALDH1A1TDP1RECQLCYP3A4 | |
| SCHEMBL3741907 | 0.68 | — | — | |
| SCHEMBL20505096 | 0.66 | MAPT (0.44) | ALDH1A1HSD17B10PDGFRALTKGSK3B | |
| SCHEMBL20723 | 0.66 | MAPT (0.44) | ALDH1A1HSD17B10PDGFRALTKGSK3B | |
| SCHEMBL1270125 | 0.64 | CES1 (0.48) | PARP1AURKAAURKBINCENPTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2771334-A1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | Galderma Research & Development (FR) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013061005-A1 | DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2013-05-02 | — | — | WO | disclosed |
| WO-2012068211-A1 | TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-24 | — | — | WO | disclosed |