Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7806051 | 0.83 | ALDH1A1 (0.41) | CA1CA2CA9 | |
| SCHEMBL7807670 | 0.77 | SLC6A2 (0.51) | SLC6A3 | |
| SCHEMBL2636787 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL7800982 | 0.76 | GBA1 (0.37) | — | |
| SCHEMBL7441689 | 0.76 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL7800914 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL7800840 | 0.73 | GBA1 (0.35) | CA1CA2CA9CA12 | |
| SCHEMBL17474576 | 0.70 | SLC6A1 (0.42) | — | |
| SCHEMBL6057412 | 0.69 | SSTR4 (0.44) | — | |
| SCHEMBL7448822 | 0.69 | SSTR4 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1119553-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000020390-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2000-04-13 | — | — | WO | disclosed |