Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | PTPRG | P23470 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8391826 | 0.94 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2TP53TSHR | |
| SCHEMBL8392025 | 0.85 | KMT2A (0.37) | ALDH1A1KDM4ESMN1; SMN2TP53TSHR | |
| SCHEMBL8387656 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2TP53TSHR | |
| SCHEMBL598479 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2TP53TSHR | |
| SCHEMBL9952673 | 0.75 | TSHR (0.52) | ALDH1A1KDM4ETP53TSHRPTPRG | |
| SCHEMBL28743557 | 0.74 | CYP1A2 (0.50) | ALDH1A1KDM4ESMN1; SMN2TSHRCASP1 | |
| SCHEMBL8727429 | 0.74 | HSD17B10 (0.37) | KDM4ETSHRKMT2AHSD17B10THRB | |
| SCHEMBL8492600 | 0.73 | TSHR (0.47) | ALDH1A1KDM4ESMN1; SMN2TP53TSHR | |
| SCHEMBL8389704 | 0.73 | ALDH1A1 (0.37) | ALDH1A1KDM4ESMN1; SMN2TP53TSHR | |
| SCHEMBL7582779 | 0.72 | ALDH1A1 (0.38) | ALDH1A1KDM4ESMN1; SMN2TP53TSHR |
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-0625508-B1 | Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides | RHONE POULENC AGRICULTURE (GB) | 1998-08-19 | — | — | EP | disclosed |
| EP-0625508-A2 | Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides | RHONE POULENC AGRICULTURE LTD. (GB) | 1994-11-23 | — | — | EP | disclosed |