Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | PTGIR | P43119 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9544755 | 0.81 | — | — | |
| SCHEMBL23966870 | 0.77 | ACHE (0.38) | CA1CA2CA7CA9ACHE | |
| SCHEMBL2472483 | 0.77 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2220176 | 0.77 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL22341499 | 0.76 | MAOA (0.44) | MAPK1ALDH1A1SMN1; SMN2LMNA | |
| Hydrogen Sulfide SCHEMBL17008163 | 0.75 | CA1 (0.55) | CA1CA2CA7CA9CA12 | |
| SCHEMBL21035917 | 0.75 | MAOA (0.40) | SLC6A4TDP1MAPK1MAPTL3MBTL1 | |
| SCHEMBL11784294 | 0.74 | CYP1A1 (0.40) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13528832 | 0.74 | ALDH1A1 (0.44) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4192430 | 0.73 | CA1 (0.52) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993013089-A1 | MACROCYCLIC POLYETHER CARBOXYLIC ACIDS | URBAN FRANK J (US) | 1993-07-08 | — | — | WO | disclosed |