Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7872844 | 0.89 | CA1 (0.48) | CA2CA1NFKB1MAPK1CYP3A4 | |
| Propionic Acid SCHEMBL2370939 | 0.82 | CA2 (0.50) | CA2CA1NFKB1GPR84MAPK1 | |
| Propionic Acid SCHEMBL6633544 | 0.79 | DNM1 (0.52) | CA2CA1NFKB1GPR84MAPK1 | |
| Water SCHEMBL4821456 | 0.78 | DNM1 (0.41) | CA2CA1MAPK1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL7865432 | 0.78 | DNM1 (0.41) | CA2MAPK1CYP3A4TSHR | |
| Fluoride Ion SCHEMBL7872902 | 0.78 | DNM1 (0.41) | CA2CA1MAPK1CYP3A4TSHR | |
| SCHEMBL7865515 | 0.78 | DNM1 (0.41) | CA2CA1MAPK1CYP3A4TSHR | |
| Propionic Acid SCHEMBL7874567 | 0.77 | CA2 (0.40) | CA2CA1NFKB1CYP3A4TSHR | |
| Propionic Acid SCHEMBL7874608 | 0.73 | CA2 (0.46) | CA2CA1NFKB1CYP3A4TSHR | |
| Propionic Acid SCHEMBL1036588 | 0.72 | CA2 (0.50) | CA2CA1NFKB1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |