Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.52 |
| ▸ | ADH1C | P00326 | 1/20 | 0.52 |
| ▸ | ADH1A | P07327 | 1/20 | 0.52 |
| ▸ | ADH7 | P40394 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7449222 | 1.00 | ADH1B (0.52) | ADH1BADH1CADH1AADH7CYP2C9 | |
| SCHEMBL20344487 | 0.89 | ADH1B (0.52) | ADH1BADH1CADH1AADH7CYP2C9 | |
| SCHEMBL20344664 | 0.83 | ADH1B (0.46) | ADH1BADH1CADH1AADH7CYP2C9 | |
| SCHEMBL19255773 | 0.79 | SMN1; SMN2 (0.48) | ADH1BADH1CADH1AADH7CYP2C19 | |
| SCHEMBL23188878 | 0.78 | ADH1B (0.41) | ADH1BADH1CADH1AADH7TSHR | |
| SCHEMBL23188929 | 0.78 | ADH1B (0.57) | ADH1BADH1CADH1AADH7CYP2C9 | |
| SCHEMBL26983698 | 0.78 | CYP2C9 (0.60) | ADH1BADH1CADH1AADH7CYP2C9 | |
| SCHEMBL20344648 | 0.76 | ADH1B (0.46) | ADH1BADH1CADH1AADH7CYP2C9 | |
| SCHEMBL23620721 | 0.75 | ADH1B (0.48) | ADH1BADH1CADH1AADH7CYP2C9 | |
| SCHEMBL12631384 | 0.75 | L3MBTL1 (0.50) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6468977-B1 | COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS | APOTEX INC. (CA) | 2002-10-22 | — | — | US | disclosed |
| WO-2001090095-A1 | THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES | APOTEX INC. (CA) | 2001-11-29 | — | — | WO | disclosed |