Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.46 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.45 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.45 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL82813 | 0.90 | — | — | |
| SCHEMBL29355560 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL27952518 | 0.87 | CA1 (0.63) | CA1CA2CA7CA9CA12 | |
| Fluoride SCHEMBL27964337 | 0.87 | CA1 (0.63) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL23113 | 0.85 | CA1 (0.77) | CA1CA2CA7CA9CA12 | |
| 1,2-Dimethoxybenzene SCHEMBL1796149 | 0.85 | CA1 (0.77) | CA1CA2CA7CA9CA12 | |
| Bicarbonate SCHEMBL1976713 | 0.84 | CA1 (0.54) | CA1CA2CA7CA9CA12 | |
| Cyanide SCHEMBL28986459 | 0.83 | CA1 (0.57) | CA1CA2CA7CA9CA12 | |
| Guaiacol SCHEMBL8023631 | 0.82 | CA1 (0.78) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29198697 | 0.81 | CA1 (0.55) | CA1CA2CA7CA9CA12 |
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-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 |