Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3315428 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL31157148 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CHRNB2 | |
| SCHEMBL17819606 | 0.77 | KDM4E (0.64) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL1788007 | 0.76 | CYP2A6 (0.53) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL27859244 | 0.74 | CYP2A6 (0.61) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL9391363 | 0.74 | KDM4E (0.43) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL1620488 | 0.74 | SMN1; SMN2 (0.60) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL17828137 | 0.73 | CYP2A6 (0.46) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL17781409 | 0.73 | CYP2A6 (0.46) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CYP1A2 | |
| SCHEMBL25614364 | 0.73 | CYP2A6 (0.46) | CYP2A6ALDH1A1KDM4ESMN1; SMN2CHRNB2 |
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-2023104209-A1 | METTL3 INHIBITOR COMPOUND | 上海昂阔医药有限公司 | 2023-06-15 | — | — | WO | disclosed |