Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27543087 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL5619974 | 0.97 | — | — | |
| SCHEMBL27518041 | 0.95 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL27501043 | 0.95 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL1817953 | 0.81 | CES2 (0.39) | CES2CES1TAAR1 | |
| SCHEMBL457725 | 0.78 | — | — | |
| SCHEMBL23855444 | 0.78 | — | — | |
| SCHEMBL1815421 | 0.75 | CES2 (0.39) | CES2CES1TAAR1 | |
| SCHEMBL59477 | 0.70 | — | — | |
| SCHEMBL601969 | 0.70 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1440970-B1 | Benzenesulfonic acid salt of 1-(6-halogeno-2-benzothiazolyl)ethylamine | IHARA CHEMICAL IND CO (JP) | 2011-11-30 | — | — | EP | disclosed |
| EP-1026163-B1 | PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINES OR SALTS THEREOF | IHARA CHEMICAL IND CO (JP) | 2006-03-22 | — | — | EP | disclosed |
| EP-1440970-A1 | Process for producing substituted alkylamines or salts thereof | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2004-07-28 | — | — | EP | disclosed |
| US-6197969-B1 | REACTING METAL SALT OF 2-AMINOTHIOPHENOL WITH AN AMINO ACID-N-CARBOXYLIC ANHYDRIDE; CYCLIZATION IN ACID | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-1026163-A1 | PROCESS FOR PRODUCING SUBSTITUTED ALKYLAMINES OR SALTS THEREOF | IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) | 2000-08-09 | — | — | EP | disclosed |