Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | PRKCA | P17252 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL11469747 | 0.98 | ALDH1A1 (0.67) | ALDH1A1ATMTSHRCHRM2CHRM4 | |
| Acetic Acid Butyl Ester SCHEMBL28080124 | 0.96 | ALDH1A1 (0.64) | ALDH1A1ATMTSHRCHRM2CHRM4 | |
| Octane SCHEMBL28080256 | 0.95 | ALDH1A1 (0.62) | ALDH1A1ATMTSHRFAAHPRKCA | |
| Acetic Acid Butyl Ester SCHEMBL28080172 | 0.93 | ALDH1A1 (0.60) | ALDH1A1ATMTSHRCHRM2CHRM4 | |
| Acetic Acid Butyl Ester SCHEMBL28080123 | 0.92 | ALDH1A1 (0.58) | ALDH1A1ATMTSHRCHRM2CHRM4 | |
| Acetic Acid Butyl Ester SCHEMBL28080181 | 0.89 | ALDH1A1 (0.55) | ALDH1A1ATMTSHRCHRM2CHRM4 | |
| Acetic Acid Propyl Ester SCHEMBL11219280 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TSHRCHRM2CHRM4CHRM1 | |
| Acetic Acid Butyl Ester SCHEMBL534058 | 0.84 | ALDH1A1 (0.62) | ALDH1A1ATMTSHRCHRM2CHRM4 | |
| Acetic Acid Butyl Ester SCHEMBL3238590 | 0.83 | ALDH1A1 (0.72) | ALDH1A1ATMTSHRHPGDMAPT | |
| Acetic Acid Butyl Ester SCHEMBL8003140 | 0.82 | ALDH1A1 (0.95) | ALDH1A1ATMTSHRCHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105668677-A | Synergistic extracting agent for oil and phenol in waste water of coal chemical industry | 河南龙成煤高效技术应用有限公司 | 2016-06-15 | — | — | CN | disclosed |