Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | GSTM2 | P28161 | 4/20 | 0.31 |
| ▸ | GSTP1 | P09211 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31675820 | 0.75 | KMT2A (0.35) | CDK2FBP1ALDH1A1 | |
| SCHEMBL18000402 | 0.75 | PTPRA (0.49) | ALDH1A1 | |
| SCHEMBL18000365 | 0.75 | PTPRA (0.49) | ALDH1A1 | |
| SCHEMBL19872709 | 0.75 | KDM4E (0.45) | CDK2FBP1ALDH1A1 | |
| SCHEMBL18029212 | 0.75 | PTPRA (0.49) | ALDH1A1 | |
| SCHEMBL8823947 | 0.74 | NQO2 (0.41) | CDK2CHEK1TXNRD1RAD52NQO2 | |
| SCHEMBL18509279 | 0.73 | FBP1 (0.47) | FBP1 | |
| SCHEMBL18509880 | 0.72 | CHEK1 (0.33) | CHEK1BCHEACHECES1TXNRD1 | |
| SCHEMBL2031440 | 0.70 | BCHE (0.40) | BCHEACHECES1ALDH1A1CYP2D6 | |
| SCHEMBL2980616 | 0.69 | CASP6 (0.56) | CDK2BCHEACHECES1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016134145-A9 | ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2017-02-16 | — | — | WO | disclosed |