Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27839503 | 0.98 | TSHR (0.57) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| Diethylaniline SCHEMBL17594 | 0.85 | TSHR (0.70) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| Diethylaniline SCHEMBL9000098 | 0.85 | TSHR (0.70) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| SCHEMBL11438509 | 0.85 | TSHR (0.44) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| Diethylaniline SCHEMBL31229134 | 0.82 | TSHR (0.67) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| Diethylaniline SCHEMBL184484 | 0.82 | TSHR (0.67) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| Diethylaniline SCHEMBL2215318 | 0.82 | TSHR (0.67) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| Diethylaniline SCHEMBL9638069 | 0.82 | TSHR (0.67) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| Diethylaniline SCHEMBL30880867 | 0.82 | TSHR (0.67) | TSHRCNR2ALDH1A1CYP3A4TDP1 | |
| Diethylaniline SCHEMBL1920410 | 0.82 | TSHR (0.67) | TSHRCNR2ALDH1A1CYP3A4TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104718493-B | Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element | 日产化学工业株式会社 | 2018-08-07 | — | — | CN | disclosed |
| EP-2393794-B1 | DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS | UNIV ILLINOIS (US) | 2017-03-22 | — | — | EP | disclosed |
| CN-101795683-A | Method for promoting vigilance | COLUCID PHARMACEUTICALS INC | 2010-08-04 | — | — | CN | disclosed |
| CN-1798806-A | Method for producing a composite of polymer materials | GEN ELECTRIC (US) | 2006-07-05 | — | — | CN | disclosed |