Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11425396 | 0.89 | KDM4A (0.53) | AKR1C3AKR1C2PTGS1AKR1C1POLB | |
| SCHEMBL10525905 | 0.86 | CYSLTR2 (0.56) | PTGS1PTGS2THRBLMNA | |
| SCHEMBL1574429 | 0.86 | AKR1C3 (0.58) | AKR1C3AKR1C2PTGS1AKR1C1POLB | |
| SCHEMBL1252344 | 0.85 | CYP2C9 (0.58) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| Hydrochloric Acid SCHEMBL11362424 | 0.84 | TAAR1 (0.46) | AKR1C3AKR1C2PTGS1AKR1C1POLB | |
| SCHEMBL11457389 | 0.84 | PTGS1 (0.51) | AKR1C3AKR1C2PTGS1AKR1C1POLB | |
| SCHEMBL29016109 | 0.84 | ALDH1A1 (0.46) | PTGS1PTGS2L3MBTL1PLK1ACACB | |
| SCHEMBL8817381 | 0.84 | EPHX1 (0.43) | POLBL3MBTL1KDM4APLK1ACACB | |
| SCHEMBL7796699 | 0.83 | SMN1; SMN2 (0.44) | AKR1C3AKR1C2L3MBTL1ACACBPPARG | |
| SCHEMBL29129894 | 0.83 | AKR1C3 (0.49) | AKR1C3AKR1C2PTGS1AKR1C1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5684152-A | CARBOXY DERIVATIVES FOR TREATMENT OF CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1997-11-04 | — | — | US | disclosed |
| US-4676924-A | Liquid crystalline isothiocyanates with dioxane ring and liquid crystalline admixtures containing same | WOJSKOWA AKADEMIA TECHNICZNA (PL) | 1987-06-30 | — | — | US | disclosed |
| EP-0170082-A2 | Liquid crystalline isothiocyanates with a dioxane ring and liquid crystalline admixtures containing the same | Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) | 1986-02-05 | — | — | EP | disclosed |