Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29195519 | 0.94 | CYP2A6 (0.53) | CYP2A6CYP1A2ALDH1A1LMNAMAPT | |
| SCHEMBL13475717 | 0.80 | RAB9A (0.47) | CYP2A6ALDH1A1RAB9AHCAR2AOX1 | |
| SCHEMBL1920295 | 0.80 | CYP1A2 (0.55) | CYP2A6CYP1A2ALDH1A1LMNAMAPT | |
| SCHEMBL977774 | 0.80 | CYP2A6 (0.54) | CYP2A6ALDH1A1RAB9ATSHRTDP1 | |
| SCHEMBL29407167 | 0.80 | CYP2A6 (0.80) | CYP2A6CYP1A2ALDH1A1LMNAMAPT | |
| SCHEMBL347592 | 0.80 | CYP2A6 (0.80) | CYP2A6CYP1A2ALDH1A1LMNAMAPT | |
| SCHEMBL11739548 | 0.79 | CYP1A2 (0.59) | CYP2A6CYP1A2ALDH1A1LMNAMAPT | |
| SCHEMBL181524 | 0.79 | PLA2G4A (0.51) | ALDH1A1LMNAHCAR2TACR2 | |
| SCHEMBL154747 | 0.78 | ALDH1A1 (0.68) | CYP2A6ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL182937 | 0.77 | RAB9A (0.45) | CYP2A6CYP1A2ALDH1A1MAPTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2024082-A2 | PROCESS AND CATALYST FOR OXIDIZING AROMATIC COMPOUNDS | BP Corporation North America Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007133973-A2 | PROCESS AND CATALYST FOR OXIDIZING AROMATIC COMPOUNDS | BP CORPORATION NORTH AMERICA INC. (US) | 2007-11-22 | — | — | WO | disclosed |