Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.57 |
| ▸ | CASP1 | P29466 | 2/20 | 0.57 |
| ▸ | CASP7 | P55210 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | GFER | P55789 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | PLAU | P00749 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6234225 | 0.86 | ALDH1A1 (0.64) | ALDH1A1KDM4EMAPTMAPK1CASP1 | |
| SCHEMBL6237533 | 0.81 | RHOA (0.48) | ALDH1A1KDM4EMAPTTDP1MEN1 | |
| SCHEMBL7696365 | 0.77 | RPS6KB2 (0.60) | ALDH1A1KDM4EMAPTMAPK1CASP1 | |
| SCHEMBL16027135 | 0.77 | RPS6KB2 (0.74) | ALDH1A1KDM4EMAPTMAPK1CASP1 | |
| SCHEMBL31393470 | 0.77 | RPS6KB2 (0.74) | ALDH1A1KDM4EMAPTMAPK1CASP1 | |
| SCHEMBL7235359 | 0.76 | HSD17B10 (0.71) | ALDH1A1KDM4EMAPTMAPK1CASP1 | |
| SCHEMBL19066635 | 0.75 | RPS6KB2 (0.71) | ALDH1A1KDM4EMAPTMAPK1CASP1 | |
| Bromide SCHEMBL19066634 | 0.73 | RPS6KB2 (0.69) | ALDH1A1KDM4EMAPTMAPK1CASP1 | |
| SCHEMBL7243632 | 0.69 | CYP1A2 (0.96) | ALDH1A1KDM4EMAPTMAPK1CASP1 | |
| SCHEMBL15457560 | 0.69 | MAPT (0.96) | ALDH1A1KDM4EMAPTMAPK1CASP1 |
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-2005007099-A2 | PKB INHIBITORS AS ANTI-TUMOR AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-27 | — | — | WO | disclosed |