Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ILK | Q13418 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7356604 | 0.83 | PTGS1 (0.45) | PTGS1PTGS2CA12CA1CA2 | |
| SCHEMBL11305842 | 0.79 | PDIA6 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26155371 | 0.78 | ACACB (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL469900 | 0.77 | DRD2 (0.53) | PTGS1PTGS2CA12CA1CA2 | |
| SCHEMBL28307516 | 0.76 | ALDH1A1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8428011 | 0.76 | NR5A1 (0.47) | LTA4HTSHR | |
| SCHEMBL28957001 | 0.76 | NR5A1 (0.47) | LTA4HTSHR | |
| SCHEMBL3723769 | 0.74 | AR (0.44) | — | |
| SCHEMBL17432926 | 0.74 | MRGPRX4 (0.47) | PTGS1PTGS2CA12CA1CA2 | |
| SCHEMBL25526174 | 0.74 | PTGS1 (0.46) | PTGS1PTGS2CA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012001107-A1 | PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-05 | — | — | WO | disclosed |