Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL8586253 | 0.85 | S100B (0.43) | S100BESR1ESR2ARPRKCI | |
| SCHEMBL4636717 | 0.84 | S100B (0.48) | S100BALDH1A1CYP3A4ALOX15TSHR | |
| SCHEMBL27983245 | 0.80 | ALDH1A1 (0.39) | S100BESR1ESR2ARPRKCI | |
| SCHEMBL10586581 | 0.78 | S100B (0.40) | S100BESR1ESR2ARPRKCI | |
| SCHEMBL7534253 | 0.78 | ALDH1A1 (0.40) | ESR1ESR2ARALDH1A1CYP3A4 | |
| SCHEMBL8586252 | 0.73 | S100B (0.47) | S100BESR1ESR2ARPRKCI | |
| SCHEMBL30816668 | 0.70 | ALDH1A1 (0.48) | ALDH1A1CYP3A4ALOX15HSD17B10TSHR | |
| SCHEMBL525507 | 0.69 | ALDH1A1 (0.48) | ESR1ESR2ARALDH1A1CYP3A4 | |
| SCHEMBL3117753 | 0.68 | TRPA1 (0.46) | ESR1ALDH1A1CYP3A4HSD17B10MAPK1 | |
| SCHEMBL6472907 | 0.68 | CYP3A4 (0.52) | S100BESR1ALDH1A1CYP3A4HSD17B10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1747046-B1 | USE OF SPECIALLY FORMYLATED QUINOLINIUM DERIVATIVES IN COMBINATION WITH AMINO-SUBSTITUTED PYRIMIDINE DERIVATIVES AND AT LEAST ONE ADDITIONAL PRIMARY OR SECONDARY, AROMATIC AMINE | HENKEL AG & CO KGAA (DE) | 2008-09-24 | — | — | EP | claimed |
| EP-1311231-B1 | AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE | HENKEL KGAA (DE) | 2006-11-22 | — | — | EP | claimed |
| EP-1194116-B1 | AGENT FOR DYEING FIBRES CONTAINING KERATIN | HENKEL KGAA (DE) | 2005-05-04 | — | — | EP | claimed |
| CN-1708476-A | Novel amide compounds having MCH-antagonistic action and medicaments comprising these compounds | BOEHRINGER INGELHEIM PHARMA (DE) | 2005-12-14 | — | — | CN | disclosed |
| EP-1432428-A1 | Agent for colouring fibres containing keratin | Henkel Kommanditgesellschaft auf Aktien (DE) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003030842-A1 | AGENT FOR COLOURING FIBRES CONTAINING KERATIN | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-04-17 | — | — | WO | disclosed |