Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL154747 | 0.91 | ALDH1A1 (0.68) | CYP2A6ALDH1A1MAPTLMNAHPGD | |
| Ammonia Solution, Strong SCHEMBL29186824 | 0.89 | ALDH1A1 (0.66) | CYP2A6ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL20546774 | 0.86 | CYP2A6 (0.76) | CYP2A6ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL2121124 | 0.84 | ALDH1A1 (0.61) | CYP2A6ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL29174340 | 0.84 | ALDH1A1 (0.61) | CYP2A6ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL29171 | 0.83 | — | — | |
| SCHEMBL8469408 | 0.83 | CYP2A6 (1.00) | CYP2A6ALDH1A1SMN1; SMN2ALDH3A1ALDH1A3 | |
| P-Xylene SCHEMBL10939332 | 0.83 | CYP2A6 (1.00) | CYP2A6ALDH1A1SMN1; SMN2ALDH3A1ALDH1A3 | |
| Formamide SCHEMBL10900997 | 0.82 | CA2 (0.45) | CYP2A6ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL6546965 | 0.82 | PTGS1 (0.60) | CYP2A6SMN1; SMN2ALOX5PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6562996-B2 | Alkyl aromatic aldehydes | EXXONMOBIL CHEMICAL PATENTS INC. | 2003-05-13 | — | — | US | disclosed |
| WO-2003016252-A2 | ALKYL AROMATIC ALDEHYDES | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2003-02-27 | — | — | WO | disclosed |
| US-20020068841-A1 | Alkyl aromatic aldehydes | EXXONMOBIL CHEMICAL PATENTS INC. | 2002-06-06 | — | — | US | disclosed |