Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31374647 | 0.81 | CYP1A2 (0.52) | CYP2A6CYP1A2ALDH1A1KDM4EMAPT | |
| SCHEMBL2300447 | 0.81 | CYP1A2 (0.52) | CYP2A6CYP1A2ALDH1A1KDM4EMAPT | |
| Ammonia Solution, Strong SCHEMBL16600069 | 0.81 | CYP2A6 (0.42) | CYP2A6CYP1A2CD44ALDH1A1KDM4E | |
| SCHEMBL16029928 | 0.78 | CYP2A6 (0.44) | CYP2A6CYP1A2CD44ALDH1A1KDM4E | |
| SCHEMBL15352933 | 0.76 | ALDH1A1 (0.46) | CYP2A6CYP1A2CD44ALDH1A1KDM4E | |
| SCHEMBL1834490 | 0.72 | TSHR (0.41) | CYP2A6CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL10434554 | 0.71 | CYP1A2 (0.58) | CYP2A6CYP1A2ALDH1A1MAPTHPGD | |
| Ammonia Solution, Strong SCHEMBL8197954 | 0.70 | TSHR (0.40) | CYP2A6CYP1A2ALDH1A1KDM4EPOLB | |
| SCHEMBL20375922 | 0.70 | TSHR (0.56) | CYP2A6CYP1A2ALDH1A1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL1508302 | 0.70 | KDM4E (0.40) | CYP2A6CYP1A2ALDH1A1KDM4EPOLB |
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-2021110525-A1 | METHOD FOR DETERMINING AUTHENTICITY AND ADULTERATION OF MARKED PETROLEUM HYDROCARBONS | SICPA HOLDING SA (CH) | 2021-06-10 | — | — | WO | disclosed |