Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4574628 | 0.82 | CNR2 (0.41) | TSHRESR1ESR2KIF11 | |
| SCHEMBL8668505 | 0.79 | TSHR (0.33) | TSHRMAPTNPC1RAB9ACA1 | |
| SCHEMBL3676012 | 0.78 | TSHR (0.44) | TSHRACHETDP1MAPTNPC1 | |
| SCHEMBL9397850 | 0.78 | TSHR (0.50) | TSHRACHETDP1ESR1ESR2 | |
| SCHEMBL28366627 | 0.77 | TSHR (0.50) | TSHRALDH1A1 | |
| SCHEMBL10447367 | 0.75 | TSHR (0.46) | TSHRACHETDP1ESR1ESR2 | |
| SCHEMBL9344588 | 0.74 | TSHR (0.50) | TSHRACHETDP1ESR1ESR2 | |
| SCHEMBL28634914 | 0.74 | TSHR (0.50) | TSHRACHETDP1ESR1ESR2 | |
| SCHEMBL11862759 | 0.73 | ESR1 (0.38) | TSHRESR1ESR2ARMAPT | |
| SCHEMBL7651921 | 0.73 | TSHR (0.55) | TSHRACHETDP1MAPTNPC1 |
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 |