Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13770622 | 0.89 | CHEK1 (0.51) | CHEK1NOX1BCHEACHEKDM4E | |
| SCHEMBL13770447 | 0.84 | NOX1 (0.60) | NOX1ACHEKDM4EMAPTMEN1 | |
| SCHEMBL31315040 | 0.84 | NOX1 (0.60) | NOX1ACHEKDM4EMAPTMEN1 | |
| SCHEMBL13770335 | 0.82 | NOX1 (0.43) | CHEK1NOX1BCHEACHEDYRK1A | |
| SCHEMBL5157721 | 0.82 | NQO2 (0.56) | PIK3R1PIK3CAACHEF7F3 | |
| SCHEMBL29856205 | 0.82 | NQO2 (0.56) | PIK3R1PIK3CAACHEF7F3 | |
| SCHEMBL5157381 | 0.79 | PIK3CG (0.58) | PIK3R1PIK3CAF7F3DYRK1A | |
| SCHEMBL13770720 | 0.79 | NQO2 (0.48) | NOX1ACHEKDM4EMAPTMEN1 | |
| SCHEMBL11596282 | 0.78 | NQO2 (0.65) | PIK3R1PIK3CAACHEF7F3 | |
| SCHEMBL13770454 | 0.78 | NQO2 (0.68) | NOX1KDM4EMAPTMEN1ALDH1A1 |
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-2009083532-A2 | NOVEL METHOD FOR THE PREPARATION OF DERIVATIVES OF DIHYDROTETRAAZAPENTACENES, PRODUCTS SUCH AS OBTAINED, AND USES THEREOF | UNIVERSITE DE LA MEDITERRANEE AIX-MARSEILLE II (FR) | 2009-07-09 | — | — | WO | disclosed |