Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19849964 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2A6ALDH1A1SLC40A1IDO1 | |
| SCHEMBL1755235 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP2A6ALDH1A1SLC40A1IDO1 | |
| SCHEMBL6631371 | 0.77 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1SLC40A1IDO1 | |
| SCHEMBL1921284 | 0.77 | CYP1A2 (0.59) | CYP1A2CYP2A6ALDH1A1SLC40A1IDO1 | |
| SCHEMBL29447796 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1TSHRPSMD14 | |
| SCHEMBL29363045 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1TSHRPSMD14 | |
| SCHEMBL161370 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2A6ALDH1A1TSHRPSMD14 | |
| SCHEMBL1921282 | 0.76 | CYP1A2 (0.56) | CYP1A2CYP2A6ALDH1A1IDO1TSHR | |
| SCHEMBL1455006 | 0.74 | GAA (0.65) | CYP1A2CYP2A6ALDH1A1TSHRSLC6A2 | |
| SCHEMBL20375316 | 0.74 | IDO1 (0.63) | CYP1A2CYP2A6ALDH1A1SLC40A1IDO1 |
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-2010005534-A2 | PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2010-01-14 | — | — | WO | disclosed |