Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 4/20 | 0.39 |
| ▸ | EGFR | P00533 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RGS12 | O14924 | 1/20 | 0.38 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.38 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.37 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7876093 | 1.00 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| Paraben SCHEMBL8015210 | 0.93 | CA2 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10828138 | 0.89 | ALDH1A1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8015206 | 0.81 | NPC1 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17912502 | 0.81 | CA12 (0.46) | CA12CA1CA2CA7CA9 | |
| Sorbic Acid SCHEMBL27480689 | 0.79 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17912498 | 0.79 | PTPN1 (0.46) | CA12CA1CA2CA7CA9 | |
| 2,4-Dihydroxybenzoic Acid SCHEMBL8019740 | 0.77 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1908071 | 0.77 | ALDH1A1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17912493 | 0.77 | BID (0.44) | CA12CA1CA2CA7CA9 |
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-6316500-B1 | FOR USE IN FOOD, BEVERAGE, COSMETIC, AGRICHEMICAL AND TOPICALLY APPLIED PHARMACEUTICAL FORMULATION FOR PREVENTING MICROORGANISM OR FUNGUS GROWTH | ISP INVESTMENTS INC. | 2001-11-13 | — | — | US | disclosed |
| WO-2000040544-A1 | ALIPHATICALLY UNSATURATED HYDROXY BENZOATES AND PRESERVATIVE COMPOSITIONS THEREOF | ISP INVESTMENTS INC. (US) | 2000-07-13 | — | — | WO | disclosed |