Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 2/20 | 0.37 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28176038 | 0.85 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| Quinoline SCHEMBL27618986 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TSHRKMT2AMEN1RAB9A | |
| Quinoline SCHEMBL27759111 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL464450 | 0.80 | — | — | |
| Quinoline SCHEMBL27735524 | 0.79 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28104483 | 0.78 | ALPG (0.44) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL28236460 | 0.78 | ALPG (0.44) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL20262982 | 0.78 | ALPG (0.46) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| Quinoline SCHEMBL2535469 | 0.76 | ALDH1A1 (0.81) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 | |
| Quinoline SCHEMBL4599170 | 0.74 | ALDH1A1 (0.77) | ALDH1A1TSHRCYP1A2CYP3A4CYP2D6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104498163-A | Water-soluble total-synthesis metal working fluid and application thereof | UNIV TSINGHUA | 2015-04-08 | — | — | CN | claimed |
| CN-110476265-A | Charge-transporting varnish | NISSAN CHEMICAL CORP | 2019-11-19 | — | — | CN | disclosed |
| CN-107709401-A | Solidification compound and formed body | 株式会社大赛璐 | 2018-02-16 | — | — | CN | disclosed |
| CN-107709403-A | Curable composition and cured product using same | 三亚普罗股份有限公司 | 2018-02-16 | — | — | CN | disclosed |
| CN-107658494-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | 三菱化学株式会社 | 2018-02-02 | — | — | CN | disclosed |
| CN-104498163-B | Water-soluble total synthesis metal processing liquid and its application | 清华大学 | 2017-06-06 | — | — | CN | disclosed |
| CN-104498163-A | Water-soluble total-synthesis metal working fluid and application thereof | UNIV TSINGHUA | 2015-04-08 | — | — | CN | disclosed |