Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4735631 | 0.85 | SERPINE1 (0.54) | XDHESR1KDM4EPOLBGAA | |
| SCHEMBL7867427 | 0.83 | ESR1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18220660 | 0.80 | HRH3 (0.48) | PTPN1KDM4EPOLBMEN1ALDH1A1 | |
| SCHEMBL15978100 | 0.78 | LMNA (0.50) | KDM4EGAAALDH1A1KMT2A | |
| SCHEMBL18204470 | 0.78 | LMNA (0.50) | KDM4EGAAALDH1A1KMT2A | |
| SCHEMBL330168 | 0.77 | LMNA (0.49) | KDM4EGAAALDH1A1KMT2A | |
| SCHEMBL330167 | 0.77 | LMNA (0.49) | KDM4EGAAALDH1A1KMT2A | |
| SCHEMBL27871910 | 0.77 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2972468 | 0.76 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8015208 | 0.76 | ESR1 (0.46) | 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 1 patent. 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 |