Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.40 |
| ▸ | CA2 | P00918 | 8/20 | 0.40 |
| ▸ | CA9 | Q16790 | 8/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.40 |
| ▸ | CA5A | P35218 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 4/20 | 0.40 |
| ▸ | CA4 | P22748 | 3/20 | 0.40 |
| ▸ | CA6 | P23280 | 3/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.36 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.35 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11371870 | 0.84 | CA1 (0.39) | CA1CA2CA9CA12CA14 | |
| SCHEMBL11376210 | 0.83 | CA2 (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL11371318 | 0.81 | MAOA (0.46) | CA1CA2CA9CA12CA14 | |
| SCHEMBL11371292 | 0.81 | CA1 (0.37) | CA1CA2CA9CA12CA14 | |
| SCHEMBL11376214 | 0.80 | PTGES2 (0.40) | CA1CA2CA9CA12CA14 | |
| Hydrochloric Acid SCHEMBL11374213 | 0.80 | ALDH1A1 (0.40) | CA1CA2CA9CA12CA14 | |
| Hydrochloric Acid SCHEMBL11374214 | 0.80 | ALDH1A1 (0.40) | CA1CA2CA9CA12CA14 | |
| SCHEMBL11371313 | 0.77 | CA2 (0.44) | CA1CA2CA9CA12CA14 | |
| SCHEMBL11382311 | 0.76 | HPGD (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL11374303 | 0.74 | KDM4E (0.44) | CA1CA2CA9CA12CA14 |
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-4247550-A | Compositions and methods for the treatment of hypertension or oedemas | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1981-01-27 | — | — | US | disclosed |