Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 5/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3119714 | 0.86 | CYP19A1 (0.53) | CYP19A1PTGS2ALDH1A1CALM1AKR1B1 | |
| SCHEMBL15524450 | 0.82 | PTGS2 (0.41) | CYP19A1PTGS2ALDH1A1CALM1AKR1B1 | |
| SCHEMBL9491787 | 0.81 | CYP19A1 (0.68) | CYP19A1PTGS2ALDH1A1CALM1AKR1B1 | |
| SCHEMBL79359 | 0.80 | CHRM2 (0.63) | CHRM2CHRM1CHRM3 | |
| SCHEMBL9279920 | 0.80 | PTGS2 (0.67) | CYP19A1PTGS2ALDH1A1CALM1AKR1B1 | |
| SCHEMBL25162159 | 0.78 | CYP19A1 (0.50) | CYP19A1PTGS2ALDH1A1CALM1AKR1B1 | |
| SCHEMBL7360617 | 0.78 | CYP19A1 (0.50) | CYP19A1PTGS2ALDH1A1CALM1AKR1B1 | |
| SCHEMBL224550 | 0.78 | TNKS2 (0.56) | CYP19A1PTGS2ALDH1A1CALM1AKR1B1 | |
| SCHEMBL80083 | 0.78 | CALM1 (0.62) | CALM1SIRT2IGF1RALOX15 | |
| SCHEMBL1171756 | 0.78 | PTGS2 (0.76) | CYP19A1PTGS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0044105-B1 | NEW 8-ALPHA-OESTRA-1,3,5(10)-TRIENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | AKZO N.V. (NL) | 1984-10-03 | — | — | EP | disclosed |
| US-4407753-A | 8α-Oestra-1,3,5(10)-triene derivatives, processes for their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1983-10-04 | — | — | US | disclosed |
| EP-0044105-A2 | New 8-alpha-oestra-1,3,5(10)-triene derivatives, processes for their preparation and pharmaceutical compositions | AKZO N.V. (NL) | 1982-01-20 | — | — | EP | disclosed |