Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.76 |
| ▸ | TSHR | P16473 | 3/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4869221 | 0.87 | CASP1 (1.00) | CASP1TSHRALDH1A1PDE10ACYP3A4 | |
| SCHEMBL29670126 | 0.87 | — | — | |
| SCHEMBL93860 | 0.87 | — | — | |
| Resorcinol SCHEMBL8059792 | 0.84 | TSHR (0.76) | CASP1TSHRALDH1A1PDE10ACYP3A4 | |
| SCHEMBL5693266 | 0.81 | ALDH1A1 (0.59) | CASP1TSHRALDH1A1CYP3A4ACHE | |
| Orcinol SCHEMBL6279994 | 0.81 | ALDH1A1 (0.52) | CASP1TSHRALDH1A1CYP3A4RECQL | |
| Dimethylamine SCHEMBL9021118 | 0.81 | CASP1 (0.86) | CASP1TSHRALDH1A1PDE10ACYP3A4 | |
| Phenol SCHEMBL27557181 | 0.80 | CASP1 (0.76) | CASP1TSHRALDH1A1PDE10ACYP3A4 | |
| SCHEMBL10594028 | 0.79 | CASP1 (0.83) | CASP1TSHRALDH1A1PDE10ACYP3A4 | |
| 3-Aminophenol SCHEMBL94098 | 0.78 | CASP1 (0.73) | CASP1TSHRALDH1A1PDE10ACYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001734-A1 | DYES | Henkel Kommanditgesellschaft auf Aktien (DE) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006016-A1 | DYES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1999-02-11 | — | — | WO | disclosed |