Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.61 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 18/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 13/20 | 0.53 |
| ▸ | CASP7 | P55210 | 11/20 | 0.53 |
| ▸ | CASP1 | P29466 | 11/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.53 |
| ▸ | GLA | P06280 | 5/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 9/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL14006981 | 0.82 | ALDH1A1 (0.66) | ALDH1A1GAAHPGDKDM4ECYP1A2 | |
| SCHEMBL28736705 | 0.81 | ALDH1A1 (0.68) | ALDH1A1GAAHPGDKDM4ECYP1A2 | |
| SCHEMBL16332477 | 0.80 | ATM (0.57) | ALDH1A1GAAHPGDKDM4ECYP1A2 | |
| SCHEMBL7694121 | 0.80 | CYP1A2 (0.63) | ALDH1A1GAAHPGDKDM4ECYP1A2 | |
| SCHEMBL28736745 | 0.77 | ALDH1A1 (0.68) | ALDH1A1GAAHPGDKDM4ECYP1A2 | |
| SCHEMBL7694822 | 0.77 | CYP1A2 (0.68) | ALDH1A1GAAHPGDKDM4ECYP1A2 | |
| SCHEMBL17119622 | 0.77 | SRC (0.53) | BRD4 | |
| SCHEMBL14006985 | 0.76 | ALDH1A1 (1.00) | ALDH1A1GAAHPGDKDM4ECYP1A2 | |
| SCHEMBL1963121 | 0.73 | ALDH1A1 (0.70) | ALDH1A1GAAHPGDKDM4ECYP1A2 | |
| SCHEMBL28736739 | 0.73 | ALDH1A1 (0.65) | ALDH1A1GAAHPGDKDM4ECYP1A2 |
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-2002076954-A1 | COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 2002-10-03 | — | — | WO | disclosed |