Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 8/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7678431 | 0.97 | ESR1 (0.58) | GRM5ESR1ESR2CA12CA1 | |
| SCHEMBL20716046 | 0.94 | ALDH1A1 (0.55) | GRM5ESR1CA12CA1CA2 | |
| SCHEMBL2471106 | 0.93 | ESR1 (0.63) | GRM5ESR1ESR2CA12CA1 | |
| SCHEMBL2625350 | 0.93 | GRM5 (0.48) | GRM5ESR1ESR2CA12CA1 | |
| SCHEMBL13433471 | 0.90 | GRM5 (0.51) | GRM5ESR1SCN2AMEN1KMT2A | |
| SCHEMBL16937189 | 0.90 | GRM5 (0.51) | GRM5ESR1SCN2AMEN1KMT2A | |
| SCHEMBL13900300 | 0.90 | CA9 (0.66) | ESR1CA12CA1CA2CA9 | |
| SCHEMBL29637688 | 0.90 | CA9 (0.66) | ESR1CA12CA1CA2CA9 | |
| SCHEMBL28947748 | 0.90 | ESR1 (0.51) | GRM5ESR1ESR2CA12CA1 | |
| SCHEMBL13900322 | 0.89 | CA9 (0.55) | GRM5ESR1ESR2CA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2899179-A1 | Combination of cross-linkers including carbon-carbon triple bonds | Nexam Chemical AB (SE) | 2015-07-29 | — | — | EP | disclosed |