Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NRP1 | O14786 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7508318 | 0.99 | ALDH1A1 (0.33) | ALDH1A1NRP1HTR2AIDO1 | |
| SCHEMBL7144485 | 0.80 | ALDH1A1 (0.32) | ALDH1A1SLC6A3 | |
| SCHEMBL7135839 | 0.73 | SCN9A (0.33) | — | |
| SCHEMBL7140340 | 0.69 | SIGMAR1 (0.38) | HTR2ASLC6A3 | |
| SCHEMBL7140343 | 0.69 | CHRM2 (0.37) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7508309 | 0.68 | SIGMAR1 (0.37) | SLC6A3 | |
| Hydrochloric Acid SCHEMBL7508314 | 0.68 | CHRM2 (0.37) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7517669 | 0.68 | CSNK2A1 (0.34) | ALDH1A1IDO1 | |
| SCHEMBL7140351 | 0.67 | SLC6A4 (0.39) | HTR2ASLC6A3 | |
| SCHEMBL7146414 | 0.67 | ALDH1A1 (0.31) | ALDH1A1 |
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-1192122-B1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2003-10-22 | — | — | EP | disclosed |
| EP-1192122-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076953-A1 | BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI-SYNTHELABO (FR) | 2000-12-21 | — | — | WO | disclosed |