Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27836567 | 0.80 | CYP2A6 (0.47) | CYP2A6CYP2B6HPGDALDH1A1LMNA | |
| SCHEMBL13093611 | 0.77 | CYP2A6 (0.57) | CYP2A6CYP2B6ALDH1A1CYP17A1CYP1A2 | |
| SCHEMBL31526404 | 0.75 | PDCD1 (0.43) | CYP2A6CYP2B6HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL6277246 | 0.74 | GPR35 (0.49) | CYP2A6CYP2B6HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL13712822 | 0.74 | KMT2A (0.52) | HPGDSMN1; SMN2ALDH1A1LMNAPOLB | |
| SCHEMBL11948739 | 0.74 | ALDH1A1 (0.49) | CYP2A6CYP2B6HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL26038505 | 0.72 | KMT2A (0.50) | CYP2A6CYP2B6HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL4760304 | 0.72 | CA1 (0.42) | CYP2A6CYP2B6HPGDALDH1A1LMNA | |
| SCHEMBL28461110 | 0.71 | CYP2A6 (0.43) | CYP2A6CYP2B6HPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL15391338 | 0.70 | PDPK1 (0.47) | CYP2A6CYP2B6HPGDSMN1; SMN2ALDH1A1 |
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-2017018617-A1 | NOVEL COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME, AND COLOR FILTER | 삼성에스디아이 주식회사 | 2017-02-02 | — | — | WO | disclosed |