Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6682760 | 0.89 | MMP13 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7315741 | 0.86 | LTA4H (0.38) | SLC2A1 | |
| SCHEMBL10610133 | 0.84 | TAS1R3 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3606244 | 0.83 | MIF (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27376923 | 0.82 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL20079501 | 0.80 | AOC3 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31343423 | 0.79 | AOC3 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4742927 | 0.79 | CYP17A1 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1198451 | 0.79 | ALDH1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10481598 | 0.79 | CA12 (0.48) | CA12CA1CA2CA7CA9 |
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-5041442-A | Antiulcer agents | SYNTEX (U.S.A.) INC. (US) | 1991-08-20 | — | — | US | disclosed |