Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | BRS3 | P32247 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 4/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17965451 | 0.83 | TSHR (0.39) | TSHRGRIN2DGRIN2AGRIN2BGRIN2C | |
| SCHEMBL3484562 | 0.83 | RARB (0.43) | TSHRACE2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL2489653 | 0.78 | ANPEP (0.47) | TSHRRARBFOLH1ALDH1A1PTGER4 | |
| SCHEMBL3484567 | 0.78 | NR1H4 (0.41) | TSHRACE2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL1618045 | 0.75 | TDP1 (0.46) | TSHRACE2TDP1NR1H4 | |
| SCHEMBL2160396 | 0.74 | ALDH1A1 (0.48) | TSHRTDP1RARBFOLH1ALDH1A1 | |
| Ethylene SCHEMBL9718947 | 0.73 | TDP1 (0.44) | TSHRACE2TDP1NR1H4 | |
| SCHEMBL3485094 | 0.71 | NR1H4 (0.41) | GRIN2DGRIN2AGRIN2BGRIN2CRARB | |
| SCHEMBL3485088 | 0.70 | SLC7A5 (0.40) | ADRB3ADRB1NR1H4 | |
| Benzoic Acid SCHEMBL19874935 | 0.67 | ADRB3 (0.49) | TSHRFOLH1ADRB3ADRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1940769-B1 | DICARBOXYLIC ACID DERIVATIVES AND THEIR USE | BAYER IP GMBH (DE) | 2016-08-10 | — | — | EP | disclosed |
| EP-1940769-A1 | DICARBOXYLIC ACID DERIVATIVES AND THEIR USE | Bayer HealthCare AG (DE) | 2008-07-09 | — | — | EP | disclosed |
| WO-2007045433-A1 | DICARBOXYLIC ACID DERIVATIVES AND THEIR USE | BAYER HEALTHCARE AG (DE) | 2007-04-26 | — | — | WO | disclosed |