Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.37 |
| ▸ | PGK1 | P00558 | 4/20 | 0.35 |
| ▸ | PGK2 | P07205 | 4/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8949885 | 0.79 | TSHR (0.61) | TSHRCA12CA9NAPRTHSD17B10 | |
| Methyl Phosphonate SCHEMBL9136984 | 0.78 | TSHR (0.67) | TSHRCA12CA9NAPRTHSD17B10 | |
| Methyl Phosphonate SCHEMBL9137329 | 0.77 | TSHR (0.64) | TSHRCA12CA9NAPRTHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL584478 | 0.75 | TSHR (0.61) | TSHRPDK1PDK2PDK3PDK4 | |
| Trifluoroacetic Acid SCHEMBL9333894 | 0.75 | TSHR (0.61) | TSHRPDK1PDK2PDK3PDK4 | |
| Trifluoromethanesulfonic Acid SCHEMBL1934271 | 0.72 | TSHR (0.56) | TSHRPTPN1CA12PDK1PDK2 | |
| Methyl Alcohol SCHEMBL11681702 | 0.71 | TSHR (0.88) | TSHRNAPRTHSD17B10 | |
| SCHEMBL4454 | 0.71 | — | — | |
| SCHEMBL3008675 | 0.71 | — | — | |
| SCHEMBL8949864 | 0.71 | PGK1 (0.38) | PTPN1PGK1PGK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5574024-A | Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism | EBETINO FRANK H (US) | 1996-11-12 | — | — | US | disclosed |
| EP-0298553-B1 | METHYLENE PHOSPHONOALKYLPHOSPHINATES, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | Norwich Eaton Pharmaceuticals, Inc. (US) | 1992-01-15 | — | — | EP | disclosed |