Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.59 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.59 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 2/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016208 | 0.81 | CAPN9 (0.54) | CES1DNMT1CAPN9CASP3ALDH1A1 | |
| SCHEMBL3738428 | 0.80 | CES1 (0.56) | CES1DNMT1CAPN9CASP3ALDH1A1 | |
| SCHEMBL695322 | 0.76 | MEN1 (0.50) | CES1DNMT1CAPN9CASP3ALDH1A1 | |
| SCHEMBL8872178 | 0.75 | TSHR (0.52) | CES1DNMT1CAPN9CASP3ALDH1A1 | |
| SCHEMBL136094 | 0.74 | CES1 (1.00) | CES1DNMT1ALDH1A1NSD2BCHE | |
| SCHEMBL29624609 | 0.74 | CES1 (1.00) | CES1DNMT1ALDH1A1NSD2BCHE | |
| SCHEMBL505299 | 0.73 | CES1 (0.59) | CES1DNMT1CAPN9CASP3ALDH1A1 | |
| SCHEMBL2062557 | 0.72 | CES1 (0.67) | CES1DNMT1ALDH1A1NSD2BCHE | |
| SCHEMBL3754645 | 0.70 | CES1 (0.59) | CES1DNMT1CAPN9CASP3ALDH1A1 | |
| SCHEMBL5482259 | 0.70 | CES1 (0.47) | CES1DNMT1CAPN9CASP3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000038636-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | claimed |
| WO-2000038636-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | disclosed |