Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 4/20 | 0.39 |
| ▸ | IP6K3 | Q96PC2 | 4/20 | 0.39 |
| ▸ | IP6K2 | Q9UHH9 | 4/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1736 | 0.91 | NR1H4 (0.35) | TRPA1HPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL4758 | 0.87 | IP6K1 (0.40) | IP6K1IP6K3IP6K2SLC6A9PPARD | |
| SCHEMBL7197 | 0.84 | TBXAS1 (0.39) | TRPA1SMN1; SMN2 | |
| SCHEMBL7735 | 0.74 | MEN1 (0.34) | BACE1MEN1KMT2A | |
| SCHEMBL1633 | 0.73 | NR1H4 (0.33) | TRPA1SMN1; SMN2 | |
| SCHEMBL1294 | 0.68 | MEN1 (0.34) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL14777413 | 0.68 | IP6K1 (0.40) | IP6K1IP6K3IP6K2MCL1PPARD | |
| SCHEMBL13494 | 0.68 | IP6K1 (0.40) | IP6K1IP6K3IP6K2MCL1PPARD | |
| SCHEMBL8250811 | 0.67 | PTPN1 (0.36) | SMN1; SMN2MEN1KMT2ATP53 | |
| SCHEMBL1563 | 0.66 | PTPN1 (0.47) | IP6K1IP6K3IP6K2SMN1; SMN2MEN1 |
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-2483251-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041462-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |