Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.33 |
| ▸ | FDPS | P14324 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | LAP3 | P28838 | 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 | |
|---|---|---|---|---|
| SCHEMBL334747 | 0.96 | — | — | |
| Bromide SCHEMBL11663685 | 0.93 | — | — | |
| SCHEMBL28419279 | 0.93 | — | — | |
| Sulfuric Acid SCHEMBL11658624 | 0.84 | CA2 (0.39) | CA2BLMTSHRCA4 | |
| Acetic Acid SCHEMBL11663502 | 0.84 | FFAR3 (0.41) | CA2BLMLMNACA4 | |
| SCHEMBL11661969 | 0.82 | CA2 (0.37) | CA2BLMTSHRCA4 | |
| Methyl Phosphonate SCHEMBL17626597 | 0.80 | CA2 (0.89) | CA2GABBR2GABBR1FDPSBLM | |
| Methyl Phosphonate SCHEMBL4621163 | 0.80 | — | — | |
| Nitric Acid SCHEMBL11664864 | 0.80 | CA5A (0.42) | CA2 | |
| SCHEMBL11749825 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5051532-A | N,N-bis-phosphonomethyl taurine N-oxide and water-soluble salts thereof | W. R. GRACE & CO.-CONN. (US) | 1991-09-24 | — | — | US | disclosed |
| US-4977292-A | Water treatment | W. R. GRACE & CO.-CONN. (US) | 1990-12-11 | — | — | US | disclosed |
| US-4973744-A | ANTISCALE AND ANTICORROSION AGENTS FOR WATER TREATMENT | W. R. GRACE & CO.-CONN. (US) | 1990-11-27 | — | — | US | disclosed |