Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL169923 | 0.82 | CA2 (0.46) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL60732 | 0.82 | CA2 (0.46) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL3018124 | 0.80 | CA2 (0.36) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL165103 | 0.78 | CA2 (0.44) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8399233 | 0.77 | TSHR (0.31) | CA2TSHRUSP2CA1ALDH1A1 | |
| Ethylene Glycol SCHEMBL5068932 | 0.77 | CA2 (0.42) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL18065074 | 0.76 | ALDH1A1 (0.40) | CA2TSHRUSP2CA1ALDH1A1 | |
| SCHEMBL2943135 | 0.74 | CA1 (0.53) | CA2TSHRUSP2CA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11604562 | 0.74 | CA2 (0.47) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL11022453 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1874407-B1 | SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS | BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) | 2015-09-09 | — | — | EP | disclosed |