Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29489109 | 0.74 | GSK3A (0.42) | GSK3AGSK3B | |
| SCHEMBL28759920 | 0.71 | CA12 (0.35) | CA12CA1CA3CA4CA6 | |
| SCHEMBL3831855 | 0.68 | CA12 (0.33) | CA12CA1CA3CA4CA6 | |
| SCHEMBL16934683 | 0.64 | CA12 (0.31) | CA12CA1CA3CA4CA6 | |
| SCHEMBL1082770 | 0.64 | GSK3A (0.40) | GSK3AGSK3B | |
| SCHEMBL277815 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL30533216 | 0.63 | GSK3A (0.39) | GSK3AGSK3B | |
| SCHEMBL4588270 | 0.61 | ALDH1A1 (0.33) | CA12CA1CA3CA4CA6 | |
| SCHEMBL866759 | 0.60 | PKN1 (0.47) | CA12CA1CA3CA4CA6 | |
| SCHEMBL1317863 | 0.60 | GSK3A (0.40) | GSK3AGSK3BCA12CA9ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001016139-A9 | ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS | LIGAND PHARM INC (US) | 2002-09-19 | — | — | WO | claimed |
| EP-1021397-A4 | BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF | TRIMERIS INC (US) | 2000-10-04 | — | — | EP | disclosed |
| EP-1021397-A1 | BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF | TRIMERIS INC. (US) | 2000-07-26 | — | — | EP | disclosed |
| WO-1998039287-A1 | BENZANTHRONE COMPOUNDS AND ANTIVIRAL USES THEREOF | TRIMERIS, INC. (US) | 1998-09-11 | — | — | WO | disclosed |
| EP-0288400-A1 | Substituted isoquinolines | EASTMAN KODAK COMPANY (a New Jersey corporation) (US) | 1988-10-26 | — | — | EP | disclosed |