Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14190563 | 0.89 | TSHR (0.49) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL14190561 | 0.82 | TSHR (0.51) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL5071985 | 0.81 | TSHR (0.49) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL6887838 | 0.79 | TSHR (0.49) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL11626645 | 0.70 | LMNA (0.54) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL6887836 | 0.70 | TSHR (0.51) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL6885580 | 0.69 | TSHR (0.47) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL14088746 | 0.69 | LMNA (0.77) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL3853209 | 0.69 | LMNA (0.77) | TSHRLMNAALDH1A1MAPTTP53 | |
| SCHEMBL14030780 | 0.69 | LMNA (0.77) | TSHRLMNAALDH1A1MAPTTP53 |
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-7368437-B1 | Bicyclic heterocycles, processes for their preparation and their use as herbicides and pharmaceutical agents | BAYER CROPSCIENCE AG (DE) | 2008-05-06 | — | — | US | disclosed |
| US-7368437-B1 | Bicyclic heterocycles, processes for their preparation and their use as herbicides and pharmaceutical agents | BAYER CROPSCIENCE AG (DE) | 2008-05-06 | — | — | US | disclosed |
| EP-1165563-B1 | BICYCLIC HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PHARMACEUTICAL AGENTS | BAYER CROPSCIENCE GMBH (DE) | 2005-03-02 | — | — | EP | disclosed |