Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CASP1 | P29466 | 4/20 | 0.36 |
| ▸ | CASP7 | P55210 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 12/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 8/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17718372 | 0.71 | SMN1; SMN2 (0.47) | CYP1A2CYP2C9SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL938243 | 0.68 | PIK3CD (0.61) | CYP1A2CYP2C9SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL22854757 | 0.68 | PIK3CB (0.48) | CYP1A2CYP2C9SMN1; SMN2NPSR1PIK3CD | |
| SCHEMBL22854483 | 0.68 | ALDH1A1 (0.53) | SMN1; SMN2ALDH1A1HSD17B10TSHRHPGD | |
| SCHEMBL22854676 | 0.67 | PIK3CD (0.61) | PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL22854703 | 0.67 | PIK3CG (0.55) | PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL17718358 | 0.66 | PIK3CD (0.40) | CYP1A2CYP2C9SMN1; SMN2NPSR1PIK3CD | |
| SCHEMBL17718365 | 0.66 | SMN1; SMN2 (0.47) | CYP1A2CYP2C9SMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL22854485 | 0.65 | PIK3CD (0.55) | PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG | |
| SCHEMBL22854488 | 0.64 | PIK3CD (0.58) | PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG |
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-2018013213-A1 | COMPOUNDS FOR REDUCING C-MYC IN C-MYC OVEREXPRESSING CANCERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-01-18 | — | — | WO | disclosed |