Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL4384553 | 0.89 | CA2 (0.38) | CA2CA1FFAR3HDAC3HDAC1 | |
| Acetic Acid SCHEMBL6631993 | 0.86 | CA1 (0.44) | CA2CA1FFAR3HDAC3HDAC1 | |
| Propionic Acid SCHEMBL7874608 | 0.80 | CA2 (0.46) | CA2CA1FFAR3HDAC3HDAC1 | |
| Propionic Acid SCHEMBL1036588 | 0.80 | CA2 (0.50) | CA2CA1FFAR3HDAC3HDAC1 | |
| Propionic Acid SCHEMBL7874629 | 0.78 | CA2 (0.43) | CA2CA1FFAR3HDAC3HDAC1 | |
| Propionic Acid SCHEMBL19307808 | 0.75 | CA2 (0.46) | CA2CA1FFAR3HDAC3HDAC1 | |
| Propionic Acid SCHEMBL31152606 | 0.75 | CA2 (0.46) | CA2CA1FFAR3HDAC3HDAC1 | |
| Propionic Acid SCHEMBL1036707 | 0.75 | FFAR3 (0.43) | CA2CA1FFAR3HDAC3HDAC1 | |
| Propionic Acid SCHEMBL4896693 | 0.73 | FFAR3 (0.53) | CA1FFAR3HDAC3HDAC1HDAC2 | |
| Propionic Acid SCHEMBL74709 | 0.73 | — | — |
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 |