Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13571237 | 0.85 | ALDH1A1 (0.39) | ALDH1A1TSHRFDPSALDH1A3ALDH3A1 | |
| SCHEMBL16956871 | 0.84 | ALDH1A1 (0.34) | ALDH1A1PDE3BPDE3AKDM4ETDP1 | |
| SCHEMBL15776741 | 0.84 | FDPS (0.38) | ALDH1A1FDPSPDE3BPDE3AKDM4E | |
| SCHEMBL16952589 | 0.84 | ALDH1A1 (0.34) | ALDH1A1PDE3BPDE3AKDM4ETDP1 | |
| SCHEMBL21381231 | 0.84 | EGFR (0.39) | ALDH1A1TSHRFDPSEGFRPDE3B | |
| SCHEMBL24821192 | 0.80 | NLRP3 (0.40) | ALDH1A1TSHRKDM4ERAB9AHSD17B10 | |
| SCHEMBL6899726 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHRFDPSEGFRKDM4E | |
| SCHEMBL13571069 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TSHRFDPSALDH1A3ALDH3A1 | |
| SCHEMBL29956523 | 0.77 | TSHR (0.43) | ALDH1A1TSHRFDPSALDH1A3EGFR | |
| SCHEMBL6435855 | 0.77 | TSHR (0.43) | ALDH1A1TSHRFDPSALDH1A3EGFR |
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-7615550-B2 | Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists | GLAXO GROUP LIMITED (GB) | 2009-11-10 | — | — | US | disclosed |