Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL11015889 | 0.96 | ALDH1A1 (0.44) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL28340643 | 0.85 | MGAM (0.43) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL27906516 | 0.81 | MGAM (0.40) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL8911100 | 0.80 | GAA (0.46) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL10134701 | 0.80 | GABRP (0.39) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL3264734 | 0.80 | ZDHHC7 (0.40) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL10868834 | 0.79 | ZDHHC7 (0.42) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL7736216 | 0.79 | MGAM (0.44) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL10697367 | 0.77 | GAA (0.43) | ALDH1A1TRPA1MGAMGAASI | |
| SCHEMBL4025531 | 0.77 | MGAM (0.43) | ALDH1A1TRPA1MGAMGAASI |
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-0149201-B1 | CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | Roche Diagnostics GmbH (DE) | 1987-02-25 | — | — | EP | disclosed |
| US-4609673-A | ANTILIPEMIC AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1986-09-02 | — | — | US | disclosed |