Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8755663 | 0.79 | CYP1A2 (0.61) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4705880 | 0.77 | FFAR1 (0.53) | MIFCA1CA2CA12CA7 | |
| SCHEMBL358549 | 0.77 | CYP17A1 (0.70) | MIFCA1CA2CA12CA7 | |
| SCHEMBL28217716 | 0.77 | ESR1 (0.55) | MIFCA1CA2CA12CA7 | |
| SCHEMBL9815348 | 0.77 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL690069 | 0.76 | ALDH1A1 (0.67) | MIFCA1CA2CA12CA7 | |
| SCHEMBL10172018 | 0.76 | ALDH1A1 (0.67) | MIFCA1CA2CA12CA7 | |
| SCHEMBL10172019 | 0.76 | ALDH1A1 (0.67) | MIFCA1CA2CA12CA7 | |
| SCHEMBL12295764 | 0.75 | ALDH1A1 (0.51) | MIFCA1CA2CA12CA7 | |
| SCHEMBL14043185 | 0.75 | IDO1 (0.40) | CYP1A2CYP2D6CYP2C19ALDH1A1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1030708-A | Catalyst composition | SHELL INT RESEARCH (NL) | 1989-02-01 | — | — | CN | claimed |
| CN-1030708-A | Catalyst composition | SHELL INT RESEARCH (NL) | 1989-02-01 | — | — | CN | disclosed |