Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL8701819 | 0.90 | TSHR (0.40) | TSHRCA12CA9CA2CA1 | |
| Isopropyl Alcohol SCHEMBL6661541 | 0.89 | CA12 (0.36) | TSHRCA12CA9CA2CA1 | |
| SCHEMBL28089159 | 0.87 | FFAR3 (0.39) | TSHRCA12CA9CA2CA1 | |
| SCHEMBL3640654 | 0.87 | CHRM2 (0.42) | TSHRCA12CA9CA2CA1 | |
| Dimethyl Sulfoxide SCHEMBL898784 | 0.87 | CA12 (0.31) | TSHRCA12CA9CA2CA1 | |
| Hypochlorous Acid SCHEMBL1019174 | 0.86 | — | — | |
| SCHEMBL3640104 | 0.84 | TSHR (0.43) | TSHRCA12CA9CA2CA1 | |
| SCHEMBL18983343 | 0.83 | CHRM2 (0.37) | TSHRCHRM2CHRM4CHRM5CHRM1 | |
| Hypochlorous Acid SCHEMBL28430390 | 0.82 | CYP2C9 (0.35) | TSHRCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL5847060 | 0.81 | TSHR (0.41) | TSHRCA12CA9CA1CHRM2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104114551-A | Fluorinated estrogen receptor modulators and uses thereof | ARAGON PHARMACEUTICALS INC | 2014-10-22 | — | — | CN | disclosed |
| CN-101786948-B | Method for preparing 1-(4-chlorphenyl)-2-cyclopropyl-1-acetone | JIANGSU AGROCHEM LAB CO LTD | 2013-01-30 | — | — | CN | disclosed |
| CN-1914182-B | Quinazoline derivatives | ASTRAZENECA AB | 2011-09-07 | — | — | CN | disclosed |
| CN-101786948-A | Method for preparing 1-(4-chlorphenyl)-2-cyclopropyl-1-acetone | JIANGSU AGROCHEM LAB | 2010-07-28 | — | — | CN | disclosed |
| CN-1914182-A | Quinazoline derivatives | ASTRAZENECA AB (SE) | 2007-02-14 | — | — | CN | disclosed |
| CN-1118455-C | Process for preparation of pyridine dicarboxylate derivatives | AMERICAN CYANAMID CO (US) | 2003-08-20 | — | — | CN | disclosed |
| EP-0664799-B1 | AMIDE DERIVATIVES | WYETH JOHN & BROTHER LTD (GB) | 1999-07-14 | — | — | EP | disclosed |
| US-5892050-A | CONDENSATION OF ALKYL VINYL ETHER WITH VILSMEIER REAGENT AND OXALACETATE AND AMMONIA | AMERICAN CYANAMID COMPANY (US) | 1999-04-06 | — | — | US | disclosed |
| US-5637701-A | Process for preparing optically active amide derivatives | JOHN WYETH & BROTHER, LIMITED (GB) | 1997-06-10 | — | — | US | disclosed |
| CN-1055365-A | The steroidal enzyme inhibitors that haloethyl replaces | MERRELL DOW PHARMA (US) | 1991-10-16 | — | — | CN | disclosed |