Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 2/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | HSD17B1 | P14061 | 7/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.49 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17174075 | 0.87 | MAP4K4 (0.56) | MAP4K4HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL17174076 | 0.84 | MAP4K4 (0.54) | MAP4K4HSD17B1HSD17B2ESR1ESR2 | |
| SCHEMBL564494 | 0.84 | PARP1 (0.58) | PDE4DKMT2AMEN1NPC1ESR1 | |
| SCHEMBL29729655 | 0.84 | PARP1 (0.58) | PDE4DKMT2AMEN1NPC1ESR1 | |
| SCHEMBL29040612 | 0.82 | PARP1 (0.57) | PDE4DKMT2AMEN1NPC1ESR1 | |
| SCHEMBL29040616 | 0.82 | PARP1 (0.57) | PDE4DKMT2AMEN1NPC1ESR1 | |
| Lithium SCHEMBL17924084 | 0.82 | PARP1 (0.57) | PDE4DKMT2AMEN1NPC1ESR1 | |
| SCHEMBL6431677 | 0.82 | PARP1 (0.57) | PDE4DKMT2AMEN1NPC1ESR1 | |
| SCHEMBL30457867 | 0.82 | PARP1 (0.57) | PDE4DKMT2AMEN1NPC1ESR1 | |
| SCHEMBL16586107 | 0.82 | PARP1 (0.57) | PDE4DKMT2AMEN1NPC1ESR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2131826-A2 | 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES | Universität des Saarlandes (DE) | 2009-12-16 | — | — | EP | claimed |
| WO-2008116920-A2 | 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES | Universität des Saarlandes (DE) | 2008-10-02 | — | — | WO | claimed |
| EP-2131826-A2 | 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES | Universität des Saarlandes (DE) | 2009-12-16 | — | — | EP | disclosed |
| 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 |