Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | DGKA | P23743 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19614904 | 0.83 | TDP1 (0.41) | TDP1HSD17B10ALDH1A1 | |
| SCHEMBL29108048 | 0.81 | DGKA (0.53) | TDP1MAPTNAAADGKAALDH1A1 | |
| SCHEMBL1055702 | 0.80 | ALDH1A1 (0.54) | CES2TDP1NAAADGKAALDH1A1 | |
| SCHEMBL1469883 | 0.80 | ALDH1A1 (0.45) | TDP1MAPTHSD17B10NAAAALDH1A1 | |
| SCHEMBL1056775 | 0.79 | CES2 (0.50) | CES2TDP1NAAADGKAALDH1A1 | |
| Acetic Acid Butyl Ester SCHEMBL5490035 | 0.78 | ALDH1A1 (0.64) | TDP1HSD17B10NAAAALDH1A1CA1 | |
| SCHEMBL22802501 | 0.78 | NAAA (0.36) | CES2TDP1MAPTNAAADGKA | |
| SCHEMBL22802470 | 0.78 | NAAA (0.36) | CES2TDP1MAPTNAAADGKA | |
| SCHEMBL9015495 | 0.78 | DGKA (0.42) | TDP1MAPTNAAADGKAALDH1A1 | |
| SCHEMBL18612049 | 0.77 | ALDH1A1 (0.50) | CES2TDP1NAAADGKAALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0682008-B1 | Substituted 2-chloro-3,4,5-trifluorobenzenes and process for their preparation | CLARIANT GMBH (DE) | 1998-12-30 | — | — | EP | claimed |
| US-20090264587-A1 | AQUEOUS POLYURETHANE SOLUTIONS FOR POLYURETHANE SYSTEMS | BAYER MATERIALSCIENCE AG (DE) | 2009-10-22 | — | — | US | disclosed |
| US-5565612-A | Substituted 2-chloro-3,4,5-trifluorobenzenes and a process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-10-15 | — | — | US | disclosed |