Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CHKA | P35790 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4A | O75164 | 4/20 | 0.44 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 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 | |
|---|---|---|---|---|
| Heptane SCHEMBL11601626 | 0.98 | KDM4A (0.47) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| Dodecylamine SCHEMBL8912929 | 0.88 | DNM1 (0.50) | ALDH1A1TSHRKDM4AKDM2ARAB9A | |
| Hydrogen Sulfide SCHEMBL28173631 | 0.88 | NPC1 (0.45) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| SCHEMBL8181092 | 0.87 | MEN1 (0.49) | TDP1NPSR1MEN1KMT2A | |
| SCHEMBL30019986 | 0.86 | NPC1 (0.44) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| SCHEMBL6131401 | 0.84 | GAA (0.43) | ALDH1A1TSHRMAPK1HTTGAA | |
| SCHEMBL29451259 | 0.84 | NPC1 (0.46) | ALDH1A1TSHRHSD17B10ALOX15MAPK1 | |
| Hexane SCHEMBL12760845 | 0.84 | MAPT (0.50) | ALDH1A1TSHRTDP1HTTGAA | |
| SCHEMBL16187039 | 0.84 | — | — | |
| SCHEMBL7879117 | 0.84 | — | — |
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-4849536-A | CARBOXYLIC ACID, AROMATIC ALDEHYDE, METAL CYANIDE, SULFONYL HALIDE | SANDOZ LTD. (CH) | 1989-07-18 | — | — | US | disclosed |