Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL2230579 | 0.79 | TSHR (0.55) | TSHRACHETDP1ESR1ESR2 | |
| SCHEMBL14351400 | 0.77 | NPC1 (0.35) | ESR1ESR2ARNPC1MAPT | |
| SCHEMBL3671335 | 0.77 | TSHR (0.46) | TSHRACHETDP1ALDH1A1NPC1 | |
| SCHEMBL2121739 | 0.76 | TAAR1 (0.48) | TSHRALDH1A1 | |
| SCHEMBL9344588 | 0.76 | TSHR (0.50) | TSHRACHETDP1ALDH1A1ESR1 | |
| SCHEMBL28634914 | 0.76 | TSHR (0.50) | TSHRACHETDP1ESR1ESR2 | |
| SCHEMBL19981757 | 0.74 | TSHR (0.55) | TSHRACHETDP1ALDH1A1ESR1 | |
| SCHEMBL3023090 | 0.74 | TSHR (0.55) | TSHRACHETDP1ESR1ESR2 | |
| SCHEMBL19200293 | 0.74 | TSHR (0.55) | TSHRACHETDP1ALDH1A1ESR1 | |
| SCHEMBL14528006 | 0.74 | TSHR (0.48) | TSHRACHETDP1ALDH1A1ESR1 |
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-2334175-B1 | PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES | BAYER IP GMBH (DE) | 2017-03-01 | — | — | EP | disclosed |
| EP-2334175-A2 | PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010040460-A2 | PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2010-04-15 | — | — | WO | disclosed |