Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | DDX3X | O00571 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3618566 | 0.84 | KCNN4 (0.39) | ALDH1A1KCNN4TSHRMAPK1DDX3X | |
| SCHEMBL1068045 | 0.79 | CNR1 (0.50) | ALDH1A1KCNN4TSHRMAPK1DDX3X | |
| SCHEMBL22165138 | 0.78 | TSHR (0.52) | ALDH1A1KCNN4TSHRMAPK1DDX3X | |
| SCHEMBL7878585 | 0.76 | TSHR (0.42) | ALDH1A1TSHRMAPK1DDX3XCYP3A4 | |
| SCHEMBL3574723 | 0.76 | TSHR (0.50) | ALDH1A1KCNN4TSHRMAPK1DDX3X | |
| SCHEMBL17978839 | 0.75 | KCNN4 (0.50) | ALDH1A1KCNN4TSHRMAPK1F2 | |
| SCHEMBL28918320 | 0.73 | CA12 (0.41) | ALDH1A1KCNN4TSHRCYP3A4MEN1 | |
| SCHEMBL19733460 | 0.73 | TSHR (0.48) | ALDH1A1TSHRMAPK1DDX3XCYP3A4 | |
| Acetic Acid Methyl Ester SCHEMBL28136526 | 0.72 | ALDH1A1 (0.57) | ALDH1A1TSHRDDX3XCYP3A4F2 | |
| SCHEMBL2237996 | 0.70 | KCNN4 (0.37) | ALDH1A1KCNN4TSHRMAPK1DDX3X |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178969-B1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | BLACK JAMES FOUNDATION (GB) | 2005-07-13 | — | — | EP | disclosed |
| US-6479531-B1 | Gastrin and cholecystokinin receptor ligands | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-11-12 | — | — | US | disclosed |
| EP-1178969-A1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000027823-A1 | GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 2000-05-18 | — | — | WO | disclosed |