Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28533116 | 0.77 | TAAR1 (0.50) | TSHRSMN1; SMN2CYP3A4MAPTCYP2C19 | |
| SCHEMBL28114206 | 0.75 | CYP1A2 (0.41) | TSHRSMN1; SMN2CA2CA1CA5A | |
| SCHEMBL28084413 | 0.75 | PTPN1 (0.40) | TSHRSMN1; SMN2CA2CA1CA5A | |
| SCHEMBL10807645 | 0.75 | CYP2D6 (0.42) | TSHRCYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL9815386 | 0.73 | CYP2C19 (0.53) | TSHRCYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL10809039 | 0.72 | CYP2C19 (0.51) | TSHRCYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL4958575 | 0.72 | CYP2D6 (0.39) | TSHRSMN1; SMN2CA2CA1CA5A | |
| SCHEMBL10638277 | 0.72 | CYP2C19 (0.51) | TSHRCYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL2120248 | 0.72 | CYP1A2 (0.39) | TSHRSMN1; SMN2CA2CA1CA5A | |
| SCHEMBL27725243 | 0.72 | CYP1A2 (0.43) | TSHRCA2CA1CA5ACA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996026177-A1 | PROCESS FOR PREPARING ARYLACETIC ACID AND ARYLPROPIONIC ACID DERIVATIVES | HOECHST CELANESE CORPORATION (US) | 1996-08-29 | — | — | WO | claimed |
| US-5536874-A | Process for preparing arylacetic acid and arylpropionic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1996-07-16 | — | — | US | claimed |
| WO-1996026177-A1 | PROCESS FOR PREPARING ARYLACETIC ACID AND ARYLPROPIONIC ACID DERIVATIVES | HOECHST CELANESE CORPORATION (US) | 1996-08-29 | — | — | WO | disclosed |
| US-5536874-A | Process for preparing arylacetic acid and arylpropionic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1996-07-16 | — | — | US | disclosed |