Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.59 |
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CA7 | P43166 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 4/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.59 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.58 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8019738 | 0.92 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1129243 | 0.82 | TDP1 (0.53) | NPC1RAB9ATDP1 | |
| SCHEMBL1129245 | 0.82 | TDP1 (0.53) | NPC1RAB9ATDP1 | |
| SCHEMBL7867427 | 0.79 | ESR1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2925752 | 0.77 | SERPINE1 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7878892 | 0.75 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30968705 | 0.75 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30968706 | 0.75 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2543216 | 0.75 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4735631 | 0.75 | SERPINE1 (0.54) | SERPINE1POLBTDP1 |
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 |