Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 9/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL10763949 | 0.94 | ALDH1A1 (0.39) | ALDH1A1CTSDTDP1MAPTCA12 | |
| SCHEMBL11507917 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CTSDTDP1MAPTTSHR | |
| SCHEMBL10696845 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CTSDTDP1MAPTCYP3A4 | |
| SCHEMBL10766460 | 0.74 | ALDH1A1 (0.61) | ALDH1A1MAPTCA12CA2CA9 | |
| SCHEMBL11771600 | 0.74 | KCNH3 (0.47) | ALDH1A1CTSDTDP1MAPTCA12 | |
| SCHEMBL9766673 | 0.74 | GAA (0.47) | ALDH1A1CTSDTDP1MAPTALOX5 | |
| SCHEMBL6941758 | 0.73 | ATM (0.50) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL19432400 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CTSDTDP1MAPTCA12 | |
| SCHEMBL5903390 | 0.72 | ALDH1A1 (0.44) | ALDH1A1CTSDTDP1MAPTCA12 | |
| SCHEMBL6461214 | 0.72 | EPHX1 (0.50) | ALDH1A1CTSDTDP1MAPTALOX5 |
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-0252482-A2 | 7-Acyloxy-6-aminoacyloxypolyoxylabdanes, process for their preparation and their use as medicine | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-13 | — | — | EP | disclosed |
| EP-0217372-A2 | Polyoxygenated labdane derivatives, process for their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |