Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 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 | |
|---|---|---|---|---|
| SCHEMBL11059337 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL17607665 | 0.80 | ALDH1A1 (0.34) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL28550998 | 0.77 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL1974135 | 0.75 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL27448231 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL1095009 | 0.73 | ALDH1A1 (0.36) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL5247143 | 0.72 | ALDH1A1 (0.32) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL5248114 | 0.72 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL5248559 | 0.72 | ALDH1A1 (0.37) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 | |
| SCHEMBL11817761 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1119351-B1 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | GRUENENTHAL GMBH (DE) | 2003-05-02 | — | — | EP | disclosed |
| US-6509368-B1 | Use of catechol derivatives as proteinase inhibitors | GRUENENTHAL GMBH (DE) | 2003-01-21 | — | — | US | disclosed |
| EP-1119351-A2 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | Grünenthal GmbH (DE) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000019989-A2 | USE OF CATECHOL DERIVATIVES AS PROTEINASE INHIBITORS | Grünenthal GmbH (DE) | 2000-04-13 | — | — | WO | disclosed |