Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL588692 | 0.85 | ESR2 (0.44) | ALDH1A1MAPTSMN1; SMN2ESR2TSHR | |
| SCHEMBL2940694 | 0.85 | SLC6A2 (0.42) | ALDH1A1MAPTSMN1; SMN2CA1CA2 | |
| SCHEMBL20631601 | 0.84 | ALDH1A1 (0.42) | ALDH1A1MAPTSMN1; SMN2CA1CA2 | |
| SCHEMBL3644296 | 0.83 | ESR2 (0.40) | ALDH1A1MAPTSMN1; SMN2CA1CA2 | |
| SCHEMBL2575065 | 0.81 | GABRA1 (0.39) | CA1CA2ESR2TSHRCYP19A1 | |
| SCHEMBL2462113 | 0.78 | CYP19A1 (0.50) | ALDH1A1MAPTSMN1; SMN2CA1CA2 | |
| SCHEMBL29559172 | 0.78 | CYP19A1 (0.50) | ALDH1A1MAPTSMN1; SMN2CA1CA2 | |
| SCHEMBL899 | 0.77 | CYP19A1 (0.46) | ALDH1A1MAPTSMN1; SMN2CA1CA2 | |
| SCHEMBL29513232 | 0.77 | CYP19A1 (0.46) | ALDH1A1MAPTSMN1; SMN2CA1CA2 | |
| SCHEMBL28203557 | 0.76 | CA1 (0.60) | ALDH1A1CA1CA2ESR2TSHR |
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-5350752-A | Dihydropyrimidine derivatives | E. R. SQUIBB & SONS, INC. (US) | 1994-09-27 | — | — | US | disclosed |
| EP-0547442-A1 | Dihydropyrimidin derivatives used as A-II receptor antagonists | E.R. SQUIBB & SONS, INC. (US) | 1993-06-23 | — | — | EP | disclosed |