Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11213727 | 0.84 | CYP1A1 (0.40) | CA2CAMK2ACA12CA1CA3 | |
| SCHEMBL13645018 | 0.82 | CA2 (0.46) | CA2CAMK2AESR1ESR2CA12 | |
| SCHEMBL440156 | 0.81 | NPSR1 (0.48) | ALDH1A1CYP3A4HTTMEN1NPC1 | |
| SCHEMBL11085642 | 0.80 | CA2 (0.45) | CA2CAMK2AESR1ESR2CA12 | |
| Water SCHEMBL28256553 | 0.79 | NPSR1 (0.46) | ALDH1A1CYP3A4HTTMEN1NPC1 | |
| SCHEMBL797850 | 0.78 | CA2 (0.43) | CA2CAMK2AESR1ESR2CA12 | |
| SCHEMBL179788 | 0.78 | CA2 (0.43) | CA2CAMK2AESR1ESR2CA12 | |
| SCHEMBL28538693 | 0.78 | CA2 (0.43) | CA2CAMK2AESR1ESR2CA12 | |
| SCHEMBL6904231 | 0.77 | CA2 (0.42) | CA2CAMK2AESR1ESR2CA12 | |
| Hydrochloric Acid SCHEMBL1961276 | 0.77 | CA2 (0.42) | CA2CAMK2AESR1ESR2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0022492-B1 | STEREO SELECTIVE RESOLUTION OF PHENYLGLYCINE DERIVATIVES WITH ENZYMERESINS | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |