Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 12/20 | 0.59 |
| ▸ | CES2 | O00748 | 11/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8913311 | 0.98 | CES2 (0.56) | CES1CES2CA12CA1CA2 | |
| SCHEMBL3686005 | 0.93 | CES1 (0.62) | CES1CES2CA12CA1CA2 | |
| SCHEMBL27737798 | 0.87 | CES2 (0.77) | CES1CES2CA12CA1CA2 | |
| SCHEMBL15656687 | 0.85 | CES2 (0.72) | CES1CES2CA12CA1CA2 | |
| SCHEMBL15658164 | 0.85 | CES2 (0.72) | CES1CES2CA12CA1CA2 | |
| SCHEMBL263843 | 0.82 | CES1 (0.68) | CES1CES2CA12CA1CA2 | |
| SCHEMBL6520575 | 0.82 | CES1 (0.68) | CES1CES2CA12CA1CA2 | |
| SCHEMBL61363 | 0.82 | CES2 (0.77) | CES1CES2CA12CA1CA2 | |
| Water SCHEMBL10351087 | 0.80 | CES1 (0.65) | CES1CES2CA12CA1CA2 | |
| Benzil SCHEMBL35210470 | 0.79 | CES2 (0.82) | CES1CES2CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5674398-A | THIN FILM OF CROSSLINKED POLYAMIDE OBTAINED BY INTERFACIAL POLYMERIZATION AND MICROPOROUS SUBSTRATE | NITTO DENKO CORPORATION (JP) | 1997-10-07 | — | — | US | disclosed |