Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA7 | P43166 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.59 |
| ▸ | DRD1 | P21728 | 2/20 | 0.59 |
| ▸ | CA3 | P07451 | 1/20 | 0.59 |
| ▸ | TYR | P14679 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | CA5A | P35218 | 1/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.59 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL8092657 | 0.92 | ALDH1A1 (0.54) | CA2CA12CA1CA7CA9 | |
| Paraben SCHEMBL1375180 | 0.88 | CA2 (0.70) | CA2CA12CA1CA7CA9 | |
| Paraben SCHEMBL1373274 | 0.88 | CA2 (0.70) | CA2CA12CA1CA7CA9 | |
| Paraben SCHEMBL28403919 | 0.88 | CA2 (0.70) | CA2CA12CA1CA7CA9 | |
| Paraben SCHEMBL11483689 | 0.88 | CA2 (0.70) | CA2CA12CA1CA7CA9 | |
| Terephthalic Acid SCHEMBL11423003 | 0.85 | ALDH1A1 (0.47) | CA2CA12CA1CA7CA9 | |
| Benzoic Acid SCHEMBL11436200 | 0.85 | TSHR (0.56) | SRD5A2ALDH1A1MEN1CYP1A2KMT2A | |
| Benzoic Acid SCHEMBL505772 | 0.85 | TSHR (0.56) | SRD5A2ALDH1A1MEN1CYP1A2KMT2A | |
| Benzoic Acid SCHEMBL235923 | 0.85 | TSHR (0.56) | SRD5A2ALDH1A1MEN1CYP1A2KMT2A | |
| Paraben SCHEMBL6156336 | 0.84 | CA2 (0.76) | CA2CA12CA1CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0564259-A2 | Stabilized polyurethane foam | ARCO Chemical Technology, L.P. (US) | 1993-10-06 | — | — | EP | claimed |
| EP-0564259-A2 | Stabilized polyurethane foam | ARCO Chemical Technology, L.P. (US) | 1993-10-06 | — | — | EP | disclosed |