Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1560391 | 0.90 | CYP4F2 (0.53) | ALDH1A1TYRCYP4F2CYP4A11CA12 | |
| SCHEMBL1992145 | 0.90 | CYP4F2 (0.53) | ALDH1A1TYRCYP4F2CYP4A11CA12 | |
| SCHEMBL15155213 | 0.87 | CYP4F2 (0.44) | ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL27637244 | 0.85 | ALDH1A1 (0.44) | ALDH1A1TYRCYP4F2CYP4A11CA12 | |
| SCHEMBL5626293 | 0.85 | LOXL2 (0.49) | ALDH1A1TYRCA12CA1CA4 | |
| Benzyl Alcohol SCHEMBL18304351 | 0.84 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1HCAR2AKR1B10AKR1B1 | |
| Hydrochloric Acid SCHEMBL27521088 | 0.83 | ACHE (0.49) | ALDH1A1TYRL3MBTL1 | |
| Hydrochloric Acid SCHEMBL27502508 | 0.83 | NOS1 (0.47) | ALDH1A1TYRCA12CA1CA4 | |
| SCHEMBL13034103 | 0.83 | ALOX5 (0.53) | ALDH1A1DAOCA12CA1CA4 | |
| SCHEMBL27608519 | 0.83 | TYR (0.61) | ALDH1A1TYRCA12CA1CA4 |
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-100393698-C | Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them | JE IL PHARMACEUTICAL CO LTD (KR) | 2008-06-11 | — | — | CN | disclosed |
| CN-1826316-A | Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them | JE IL PHARMACEUTICAL CO LTD (KR) | 2006-08-30 | — | — | CN | disclosed |