Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | TYR | P14679 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| Butylated Hydroxytoluene SCHEMBL1446620 | 0.90 | CA2 (0.75) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL7590469 | 0.89 | ALDH1A1 (0.72) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL4558884 | 0.85 | CA2 (0.67) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL2231438 | 0.85 | ALDH1A1 (0.67) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL15789839 | 0.85 | CA2 (0.72) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| SCHEMBL28360581 | 0.84 | ALDH1A1 (0.53) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| SCHEMBL9272705 | 0.83 | CA2 (0.59) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL3134340 | 0.82 | CA2 (0.75) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL6436436 | 0.82 | SMN1; SMN2 (0.90) | CA2ALDH1A1SMN1; SMN2POLBTYR | |
| Butylated Hydroxytoluene SCHEMBL3950 | 0.82 | SMN1; SMN2 (1.00) | CA2ALDH1A1SMN1; SMN2POLBTYR |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994002529-A1 | POLYMERIZATION OF CYCLIC OLEFINS | SHELL OIL COMPANY (US) | 1994-02-03 | — | — | WO | disclosed |