Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 2/20 | 0.59 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23458217 | 1.00 | NQO1 (0.59) | NQO1TLR8ALOX5ALDH1A1S1PR1 | |
| SCHEMBL2314941 | 0.86 | ALDH1A1 (0.47) | NQO1TLR8ALDH1A1L3MBTL1NPC1 | |
| SCHEMBL3818602 | 0.84 | TLR8 (0.58) | NQO1TLR8ALOX5ALDH1A1S1PR1 | |
| SCHEMBL29919659 | 0.83 | CYP2A6 (0.47) | TLR8ALDH1A1L3MBTL1MAPTNPSR1 | |
| SCHEMBL29102436 | 0.83 | CYP2A6 (0.47) | TLR8ALDH1A1L3MBTL1MAPTNPSR1 | |
| SCHEMBL698749 | 0.82 | KDM4E (0.51) | NQO1ALDH1A1KDM4ERAB9ACYP1A2 | |
| SCHEMBL16745551 | 0.82 | GAA (0.55) | NQO1TLR8L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL29378631 | 0.81 | ALDH1A1 (0.54) | ALOX5ALDH1A1KDM4EL3MBTL1LMNA | |
| SCHEMBL50817 | 0.81 | ALDH1A1 (0.54) | ALOX5ALDH1A1KDM4EL3MBTL1LMNA | |
| Anthracene SCHEMBL10715579 | 0.81 | ALOX5 (0.44) | NQO1TLR8ALOX5ALDH1A1S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4069806-A1 | METHOD OF MARKING A PETROLEUM HYDROCARBON | Sicpa Holding SA (CH) | 2022-10-12 | — | — | EP | disclosed |