Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Nitrous Acid SCHEMBL42078 | 0.89 | ALDH1A1 (0.67) | ALDH1A1HSD17B10ATMTHRBL3MBTL1 | |
| Nitrous Acid SCHEMBL156350 | 0.89 | ALDH1A1 (0.67) | ALDH1A1HSD17B10ATMTHRBL3MBTL1 | |
| Nitrous Acid SCHEMBL8051616 | 0.89 | ALDH1A1 (0.67) | ALDH1A1HSD17B10ATMTHRBL3MBTL1 | |
| SCHEMBL8085576 | 0.89 | ALDH1A1 (0.67) | ALDH1A1HSD17B10ATMTHRBL3MBTL1 | |
| Nitrous Acid SCHEMBL3176712 | 0.86 | ALDH1A1 (0.63) | ALDH1A1HSD17B10ATMTHRBL3MBTL1 | |
| SCHEMBL27706836 | 0.76 | ALDH1A1 (0.55) | ALDH1A1HSD17B10ATMTHRBL3MBTL1 | |
| SCHEMBL17045966 | 0.75 | ALDH1A1 (0.80) | ALDH1A1HSD17B10ATMTHRBL3MBTL1 | |
| Nitrous Acid SCHEMBL42238 | 0.75 | TDP1 (0.61) | ADH1BADH1CADH1ACA1CA2 | |
| Nitrous Acid SCHEMBL27647061 | 0.75 | TDP1 (0.61) | ADH1BADH1CADH1ACA1CA2 | |
| Acetone SCHEMBL20551274 | 0.74 | ALDH1A1 (0.67) | ALDH1A1HSD17B10ATMTHRBL3MBTL1 |
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-6284814-B1 | POLYOLEFINS, POLYSTYRENES, POLYESTERS, OR MIXTURES THEREOF, AND LIQUID ANTIMICROBIAL AGENT, WHEREIN THE MASTERBATCH COMPOSITION IS AT LEAST SUBSTANTIALLY DEVOID OF ANY CARRIER COMPONENT FOR THE ANTIMICROBIAL AGENT. | CHAKRA V. GUPTA | 2001-09-04 | — | — | US | disclosed |