Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8197232 | 0.86 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| SCHEMBL10413167 | 0.78 | — | — | |
| SCHEMBL7868596 | 0.77 | ALDH1A1 (0.43) | ALDH1A1LMNASLC15A2TSHR | |
| SCHEMBL10826601 | 0.77 | LMNA (0.48) | ALDH1A1LMNASLC15A2CYP2D6TSHR | |
| SCHEMBL3490442 | 0.77 | ALDH1A1 (0.56) | ALDH1A1LMNASLC15A2MGAMGAA | |
| SCHEMBL17433681 | 0.76 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| SCHEMBL92709 | 0.75 | GAA (0.55) | ALDH1A1LMNAHSD17B10SLC15A2ALOX15 | |
| SCHEMBL31126006 | 0.75 | — | — | |
| SCHEMBL1359007 | 0.74 | — | — | |
| SCHEMBL29064062 | 0.74 | CA12 (0.46) | ALDH1A1LMNAHSD17B10CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4436661-A | INTERMEDIATES FOR PENICILLIN ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1984-03-13 | — | — | US | disclosed |
| US-4431588-A | PENACILLINS | CIBA-GEIGY CORPORATION (US) | 1984-02-14 | — | — | US | disclosed |