Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | HMGCR | P04035 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12731728 | 0.77 | CA12 (0.45) | CA12CA1CA2CA9TSHR | |
| SCHEMBL2988966 | 0.76 | CA12 (0.44) | CA12CA1CA2CA9TSHR | |
| SCHEMBL4609886 | 0.76 | CA12 (0.44) | CA12CA1CA2CA9TSHR | |
| SCHEMBL4609888 | 0.76 | CA12 (0.44) | CA12CA1CA2CA9TSHR | |
| SCHEMBL11064303 | 0.75 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL282713 | 0.74 | CA12 (0.50) | CA12CA1CA2CA9TSHR | |
| SCHEMBL18182339 | 0.72 | BTN3A1 (0.42) | CA12CA1CA2CA9TSHR | |
| SCHEMBL6277121 | 0.71 | TSHR (0.46) | CA12CA1CA2CA9TSHR | |
| SCHEMBL4837576 | 0.71 | CA12 (0.52) | CA12CA1CA2CA9TSHR | |
| SCHEMBL11352876 | 0.70 | TSHR (0.43) | CA12CA1CA2CA9TSHR |
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-4489013-A | Preparation of α-oxo-α-(3-alkoxycarbonyl-2,2-dimethyl-cycloprop-1-yl)-methane-phosphonic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1984-12-18 | — | — | US | disclosed |
| US-4317783-A | 1-Oxo-3-methyl-2-butene phosphonic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1982-03-02 | — | — | US | disclosed |