Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 10/20 | 0.49 |
| ▸ | CA1 | P00915 | 10/20 | 0.49 |
| ▸ | CA2 | P00918 | 10/20 | 0.49 |
| ▸ | CA9 | Q16790 | 10/20 | 0.49 |
| ▸ | CA4 | P22748 | 7/20 | 0.49 |
| ▸ | KLK1 | P06870 | 1/20 | 0.44 |
| ▸ | KLK5 | Q9Y337 | 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 | |
|---|---|---|---|---|
| SCHEMBL15981493 | 0.79 | CA1 (0.63) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12383669 | 0.78 | CA1 (0.55) | CA12CA1CA2CA9CA4 | |
| SCHEMBL22847886 | 0.75 | CA1 (0.57) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12475507 | 0.75 | ROCK2 (0.64) | CA12CA1CA2CA9CA4 | |
| SCHEMBL18500989 | 0.75 | CA1 (0.53) | CA12CA1CA2CA9CA4 | |
| SCHEMBL2299412 | 0.75 | CA12 (0.60) | CA12CA1CA2CA9CA4 | |
| SCHEMBL14986243 | 0.72 | CA1 (0.53) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12383659 | 0.72 | KLK5 (0.56) | CA12CA1CA2CA9CA4 | |
| SCHEMBL12383358 | 0.72 | CA1 (0.53) | CA12CA1CA2CA9CA4 | |
| SCHEMBL20607758 | 0.71 | CA1 (0.60) | CA12CA1CA2CA9CA4 |
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-2673281-A1 | BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF | Rempex Pharmaceuticals, Inc. (US) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012109164-A1 | BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF | REMPEX PHARMACEUTICALS, INC. (US) | 2012-08-16 | — | — | WO | disclosed |