Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA7 | P43166 | 5/20 | 0.50 |
| ▸ | CA9 | Q16790 | 5/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL48751 | 0.92 | CYP3A4 (0.66) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL29376657 | 0.92 | CYP3A4 (0.66) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL10072249 | 0.88 | CYP3A4 (0.57) | CYP3A4TSHRALDH1A1MAPK1HSD17B10 | |
| SCHEMBL29843135 | 0.87 | CA12 (0.62) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL321387 | 0.87 | CA12 (0.62) | CYP3A4CA12CA1CA2CA7 | |
| Benzene SCHEMBL9554798 | 0.87 | CYP3A4 (0.63) | CYP3A4CA1CA2TSHRALDH1A1 | |
| Acrylic Acid SCHEMBL2215810 | 0.87 | CYP3A4 (0.58) | CYP3A4TSHRALDH1A1MAPK1HSD17B10 | |
| SCHEMBL9247117 | 0.86 | CYP3A4 (0.57) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL11048573 | 0.86 | CA1 (0.61) | CYP3A4CA12CA1CA2CA7 | |
| SCHEMBL18593579 | 0.85 | CA12 (0.53) | CYP3A4CA12CA1CA2CA7 |
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-2452993-A2 | Thermosetting fluoropolyether adhesive composition and adhesion method | Shin-Etsu Chemical Co., Ltd. (JP) | 2012-05-16 | — | — | EP | disclosed |