Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | NQO1 | P15559 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL27702695 | 0.94 | HPRT1 (0.45) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| SCHEMBL28077721 | 0.92 | HPRT1 (0.54) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| SCHEMBL21176632 | 0.92 | HPRT1 (0.54) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| Phenanthrene SCHEMBL27372954 | 0.92 | HPRT1 (0.54) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| Chrysene SCHEMBL27616409 | 0.92 | HPRT1 (0.54) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| SCHEMBL27740850 | 0.92 | HPRT1 (0.54) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| SCHEMBL30928215 | 0.92 | HPRT1 (0.54) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| SCHEMBL2089665 | 0.92 | HPRT1 (0.54) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| Acetic Acid SCHEMBL27295805 | 0.91 | ALDH1A1 (0.46) | HPRT1ALDH1A1MAPTCYP1A2LCK | |
| SCHEMBL29140208 | 0.90 | HPRT1 (0.48) | HPRT1ALDH1A1MAPTCYP1A2LCK |
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 |
|---|---|---|---|---|---|---|---|
| CN-1150195-C | Bicyclic nitrogen heterocycles | - | 2004-05-19 | — | — | CN | disclosed |
| CN-1324360-A | Bicyclic nitrogen heterocycles | HOFFMANN LA ROCHE (CH) | 2001-11-28 | — | — | CN | disclosed |