Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 18/20 | 0.49 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.44 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL9304016 | 0.87 | CHEK2 (0.63) | CHEK2PKN1PKN2MEN1THRB | |
| SCHEMBL13836654 | 0.86 | CHEK2 (0.47) | CHEK2MEN1THRBKMT2A | |
| SCHEMBL30167005 | 0.85 | TDP1 (0.49) | CHEK2MEN1THRBKMT2A | |
| SCHEMBL9928725 | 0.85 | TDP1 (0.49) | CHEK2MEN1THRBKMT2A | |
| SCHEMBL22121440 | 0.81 | FABP6 (0.51) | CHEK2PKN1PKN2MEN1KMT2A | |
| SCHEMBL18745926 | 0.81 | CHEK2 (0.47) | CHEK2PKN1PKN2KMT2AMMP2 | |
| SCHEMBL30732472 | 0.81 | CHEK2 (0.47) | CHEK2PKN1PKN2MMP2MMP13 | |
| SCHEMBL16318609 | 0.80 | CHEK2 (0.49) | CHEK2PKN1PKN2MMP2MMP13 | |
| SCHEMBL8262964 | 0.80 | HSP90AA1 (0.55) | CHEK2PKN1PKN2KMT2AMMP2 | |
| SCHEMBL16134556 | 0.80 | CHEK2 (0.46) | CHEK2PKN1PKN2MMP2MMP13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |