Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7101381 | 1.00 | CA2 (0.47) | CA2ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL29139852 | 0.86 | CA2 (0.32) | CA2ALDH1A1TDP1 | |
| SCHEMBL3884491 | 0.82 | ALDH1A1 (0.50) | CA2ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL8888587 | 0.82 | TSHR (0.38) | CA2ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL27691052 | 0.80 | ALDH1A1 (0.48) | CA2ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL7076439 | 0.79 | ALDH1A1 (0.36) | CA2ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL4646558 | 0.79 | ALDH1A1 (0.43) | CA2ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL20778902 | 0.79 | LMNA (0.45) | CA2CYP3A4LMNAMEN1KMT2A | |
| SCHEMBL3884493 | 0.78 | ALDH1A1 (0.68) | CA2ALDH1A1TDP1CYP3A4TSHR | |
| SCHEMBL11435164 | 0.77 | ALDH1A1 (0.34) | CA2ALDH1A1TDP1CYP3A4TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1343742-A1 | METHOD FOR THE PRODUCTION OF ALKYL ARYL SULPHONATES | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002044114-A1 | METHOD FOR THE PRODUCTION OF ALKYL ARYL SULPHONATES | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-06 | — | — | WO | disclosed |