Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL405219 | 0.94 | CYP2A6 (0.55) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL599006 | 0.87 | CYP2A6 (0.79) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL29451111 | 0.87 | CYP2A6 (0.79) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL6415513 | 0.82 | BCL2L1 (0.52) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL15105728 | 0.81 | CYP2A6 (0.69) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL21215857 | 0.81 | CYP2A6 (0.69) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL834744 | 0.80 | CYP2A6 (0.68) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL23474618 | 0.80 | CYP2A6 (0.45) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL3558873 | 0.79 | CYP2A6 (0.68) | CYP2A6ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL31402831 | 0.78 | CYP2A6 (0.66) | CYP2A6ALDH1A1MAPTHPGDKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021039616-A1 | COMBINATION THERAPY AND BIOMARKER INDICATING EFFICACY THEREOF | 大日本住友製薬株式会社 | 2021-03-04 | — | — | WO | disclosed |
| EP-2200431-A1 | NOVEL COMPOSITIONS AND METHODS FOR CANCER TREATMENT | Boston Biomedical, Inc. (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009036101-A1 | NOVEL COMPOSITIONS AND METHODS FOR CANCER TREATMENT | BOSTON BIOMEDICAL, INC. (US) | 2009-03-19 | — | — | WO | disclosed |