Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL16417296 | 0.80 | SMN1; SMN2 (0.46) | CA1CA2CA12CA9CA3 | |
| SCHEMBL12660665 | 0.71 | TDP1 (0.42) | CA1CA2CA12CA9CA3 | |
| SCHEMBL21975125 | 0.69 | SMN1; SMN2 (0.38) | CA1CA2CA12CA9CA3 | |
| SCHEMBL24312000 | 0.68 | ALDH1A1 (0.34) | CA1CA2CA12CA9CA3 | |
| SCHEMBL12462387 | 0.66 | SMN1; SMN2 (0.34) | CA1CA2CA12CA9CA3 | |
| SCHEMBL18602471 | 0.66 | SMN1; SMN2 (0.38) | CA1CA2CA12CA9CA3 | |
| SCHEMBL18600087 | 0.66 | KMT2A (0.37) | CA1CA2CA12CA9CA3 | |
| SCHEMBL18238845 | 0.65 | — | — | |
| SCHEMBL1102020 | 0.65 | CA1 (0.73) | CA1CA2CA12CA9MMP1 | |
| SCHEMBL17146854 | 0.62 | EPHX2 (0.38) | CA1CA2CA12CA9CA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008116920-A2 | 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES | Universität des Saarlandes (DE) | 2008-10-02 | — | — | WO | disclosed |