Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL197988 | 1.00 | GAA (0.44) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1904864 | 1.00 | GAA (0.44) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL17266817 | 0.86 | GAA (0.43) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL28992500 | 0.84 | GAA (0.36) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL29074325 | 0.82 | MGAM (0.34) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL5178113 | 0.81 | GAA (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL8668654 | 0.81 | GAA (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL13602465 | 0.81 | GAA (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL10497834 | 0.80 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL6116793 | 0.80 | L3MBTL1 (0.46) | GAAMGAMSIMGAM2ALDH1A1 |
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-2649045-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076466-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-14 | — | — | WO | disclosed |
| US-7879862-B2 | Central nervous system disorders; psychological disorders; anxiolytic agents; irritable bowel syndrome; antidepressants | SMITHKLINE BEECHAM (CORK) LIMITED (IE) | 2011-02-01 | — | — | US | disclosed |