Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CDC45 | O75419 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.31 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.31 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28391494 | 1.00 | TSHR (0.46) | TSHRLMNACYP1A2MAPK1ALDH1A1 | |
| SCHEMBL765938 | 1.00 | TSHR (0.46) | TSHRLMNACYP1A2MAPK1ALDH1A1 | |
| SCHEMBL7948788 | 1.00 | TSHR (0.46) | TSHRLMNACYP1A2MAPK1ALDH1A1 | |
| SCHEMBL22294687 | 1.00 | TSHR (0.46) | TSHRLMNACYP1A2MAPK1ALDH1A1 | |
| SCHEMBL10434646 | 1.00 | TSHR (0.46) | TSHRLMNACYP1A2MAPK1ALDH1A1 | |
| SCHEMBL4911816 | 1.00 | TSHR (0.46) | TSHRLMNACYP1A2MAPK1ALDH1A1 | |
| SCHEMBL1687735 | 1.00 | TSHR (0.46) | TSHRLMNACYP1A2MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27852088 | 0.97 | TSHR (0.44) | TSHRLMNACYP1A2MAPK1ALDH1A1 | |
| SCHEMBL364355 | 0.97 | — | — | |
| SCHEMBL127102 | 0.88 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0226932-B1 | SOFTENER | Kao Corporation (JP) | 1991-03-06 | — | — | EP | disclosed |
| US-4795573-A | Fabric softener of mixed quaternary ammonium salts: combination of linear alkyl and methyl-branched alkyl quaternary ammonium salts | KAO CORPORATION (JP) | 1989-01-03 | — | — | US | disclosed |
| EP-0226932-A2 | Softener | Kao Corporation (JP) | 1987-07-01 | — | — | EP | disclosed |
| EP-0069952-A2 | Hair-treatment compositions with quaternary isostearyl ammonium compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-01-19 | — | — | EP | disclosed |