Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.76 |
| ▸ | CASP1 | P29466 | 2/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 4/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 3-Aminophenol SCHEMBL94098 | 0.94 | CASP1 (0.73) | TSHRCASP1ALDH1A1CA12CA2 | |
| Phenol SCHEMBL27557181 | 0.88 | CASP1 (0.76) | TSHRCASP1ALDH1A1CA12CA2 | |
| SCHEMBL4869221 | 0.87 | CASP1 (1.00) | TSHRCASP1ALDH1A1CA2CA1 | |
| SCHEMBL29670126 | 0.87 | — | — | |
| SCHEMBL93860 | 0.87 | — | — | |
| Orcinol SCHEMBL8043977 | 0.84 | CASP1 (0.76) | TSHRCASP1ALDH1A1CA2CA1 | |
| SCHEMBL7999222 | 0.84 | CASP1 (0.76) | TSHRCASP1ALDH1A1CA12CA2 | |
| 1-Naphthol SCHEMBL8032668 | 0.81 | TSHR (0.50) | TSHRCASP1ALDH1A1CA12CA2 | |
| Dimethylamine SCHEMBL9021118 | 0.81 | CASP1 (0.86) | TSHRCASP1ALDH1A1CA2CA1 | |
| 1-Naphthol SCHEMBL8002816 | 0.80 | TSHR (0.49) | TSHRCASP1ALDH1A1CA12CA2 |
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 |