Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | ERN1 | O75460 | 3/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.45 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | JUN | P05412 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1070012 | 0.92 | CA12 (0.48) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL17919655 | 0.84 | ALDH1A1 (0.56) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL5383976 | 0.82 | ALDH1A1 (0.63) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL25665189 | 0.82 | ALDH1A1 (0.42) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL19810818 | 0.81 | ALDH1A1 (0.49) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL28500163 | 0.81 | PTGDR2 (0.48) | ALDH1A1ERN1KDM4ECA12CA1 | |
| SCHEMBL7263728 | 0.80 | ERN1 (0.37) | ALDH1A1ERN1TRIM24TYRTRIM33 | |
| SCHEMBL22032601 | 0.80 | ALDH1A1 (0.40) | ALDH1A1ERN1KDM4EMAPT | |
| SCHEMBL3510807 | 0.80 | MAPT (0.39) | ALDH1A1KDM4ECA12CA1CA9 | |
| SCHEMBL4580138 | 0.80 | CA12 (0.33) | ALDH1A1KDM4ECA12CA1CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |