Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1818682 | 1.00 | CYP2A6 (0.50) | CYP2A6CYP1A2MAOAMAOBALDH1A1 | |
| SCHEMBL29956213 | 0.93 | CYP2A6 (0.48) | CYP2A6CYP1A2MAOAMAOBALDH1A1 | |
| SCHEMBL11811006 | 0.90 | MEN1 (0.41) | CYP2A6CYP1A2ALDH1A1KDM4EPTGS2 | |
| SCHEMBL977774 | 0.85 | CYP2A6 (0.54) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL13419486 | 0.82 | CYP2A6 (0.44) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL30972495 | 0.80 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL19182196 | 0.80 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL9883838 | 0.80 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL29617405 | 0.80 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A | |
| SCHEMBL29617404 | 0.80 | CYP2A6 (0.50) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |