Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21186726 | 0.87 | ACHE (0.46) | NPC1POLBACHESMN1; SMN2 | |
| SCHEMBL13334393 | 0.82 | ACHE (0.42) | NPC1POLBACHESMN1; SMN2NPSR1 | |
| SCHEMBL3185582 | 0.82 | PBRM1 (0.55) | ALDH1A1KDM4EPBRM1NPC1MITF | |
| SCHEMBL17286081 | 0.81 | ALDH1A1 (0.42) | ALDH1A1LMNAPOLBACHESMN1; SMN2 | |
| SCHEMBL12508632 | 0.81 | ACHE (0.41) | NPC1POLBACHESMN1; SMN2 | |
| SCHEMBL6154598 | 0.81 | HSD11B1 (0.44) | ALDH1A1KDM4EPBRM1NPC1MITF | |
| SCHEMBL28039762 | 0.80 | PBRM1 (0.53) | ALDH1A1KDM4EPBRM1NPC1MITF | |
| SCHEMBL6154138 | 0.80 | ADRB2 (0.45) | ALDH1A1KDM4EPBRM1NPC1MITF | |
| SCHEMBL19400486 | 0.78 | LMNA (0.48) | ALDH1A1KDM4ENPC1LMNAPOLB | |
| SCHEMBL6223670 | 0.77 | RIPK1 (0.50) | ALDH1A1KDM4ELMNAPOLBPRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7863288-B2 | protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents | PLEXXIKON, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| EP-1499603-A1 | ANTIVIRAL LACTONE-UREAS | Bayer Aktiengesellschaft (DE) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003089421-A1 | ANTIVIRAL LACTONE-UREAS | BAYER HEALTHCARE AG (DE) | 2003-10-30 | — | — | WO | disclosed |