Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 3/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6450874 | 0.93 | CA1 (0.42) | CES1CES2ALDH1A1CA12CA9 | |
| SCHEMBL9465796 | 0.89 | CA12 (0.39) | CES1CES2ALDH1A1CA12CA9 | |
| SCHEMBL2502247 | 0.87 | CES1 (0.39) | CES1CES2ALDH1A1CA12CA9 | |
| SCHEMBL28159724 | 0.87 | CES1 (0.39) | CES1CES2ALDH1A1CA12CA9 | |
| SCHEMBL135639 | 0.85 | CA12 (0.42) | CES1CES2ALDH1A1CA12CA9 | |
| SCHEMBL28127568 | 0.85 | CA12 (0.42) | CES1CES2ALDH1A1CA12CA9 | |
| SCHEMBL8604788 | 0.84 | CA12 (0.37) | CES1CES2CA12CA9CA2 | |
| SCHEMBL6260806 | 0.82 | CA12 (0.40) | ALDH1A1CA12CA9CA2HPGD | |
| SCHEMBL6449814 | 0.82 | CA12 (0.39) | CES1CES2ALDH1A1CA12CA9 | |
| SCHEMBL7103305 | 0.82 | CA12 (0.39) | CES1CES2ALDH1A1CA12CA9 |
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-4954343-A | DRUG DELIVERY, (METH)ACRYLAMIDE WITH AMINO GROUP AS COPOLYMER | NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1990-09-04 | — | — | US | disclosed |