Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9430353 | 0.69 | CYP1A2 (0.37) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL17878532 | 0.69 | CA2 (0.39) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL29713847 | 0.66 | ALDH1A1 (0.90) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL827097 | 0.66 | ALDH1A1 (0.90) | ALDH1A1CA1CA2CA12CA9 | |
| Biphenyl SCHEMBL895675 | 0.66 | ALDH1A1 (0.90) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL1991754 | 0.66 | ALDH1A1 (0.90) | ALDH1A1CA1CA2CA12CA9 | |
| Tannin Pyrogallol SCHEMBL11689471 | 0.66 | ALDH1A1 (0.90) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL143471 | 0.66 | ALDH1A1 (0.90) | ALDH1A1CA1CA2CA12CA9 | |
| Tannin Pyrogallol SCHEMBL21448 | 0.66 | ALDH1A1 (0.90) | ALDH1A1CA1CA2CA12CA9 | |
| SCHEMBL2637802 | 0.66 | ALDH1A1 (0.90) | ALDH1A1CA1CA2CA12CA9 |
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-2016100578-A2 | ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS | MICURX PHARMACEUTICALS, INC. (US) | 2016-06-23 | — | — | WO | disclosed |