Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | FBP1 | P09467 | 2/20 | 0.46 |
| ▸ | CHAT | P28329 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL2153770 | 0.91 | CHRM5 (0.54) | CHRM5CYP1A2CYP2C9ALDH1A1FBP1 | |
| SCHEMBL40399 | 0.91 | — | — | |
| SCHEMBL29672621 | 0.91 | — | — | |
| Benzaldehyde SCHEMBL20557183 | 0.85 | ALDH1A1 (0.61) | CHRM5CYP1A2CYP2C9ALDH1A1FBP1 | |
| SCHEMBL28276590 | 0.83 | HSD17B10 (0.67) | CHRM5CYP1A2CYP2C9ALDH1A1FBP1 | |
| SCHEMBL18530648 | 0.83 | CYP1A2 (0.53) | CHRM5CYP1A2CYP2C9ALDH1A1FBP1 | |
| Ethylene Glycol SCHEMBL28617308 | 0.82 | CYP1A2 (0.52) | CHRM5CYP1A2CYP2C9ALDH1A1FBP1 | |
| Heptane SCHEMBL28304085 | 0.81 | EPHX1 (0.47) | CHRM5CYP1A2CYP2C9KMT2A | |
| SCHEMBL10860684 | 0.80 | RELA (0.46) | CHRM5CYP1A2CYP2C9ALDH1A1FBP1 | |
| SCHEMBL1443724 | 0.79 | TRIM24 (0.53) | CHRM5CYP1A2CYP2C9ALDH1A1FBP1 |
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-1150996-B1 | NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2007-11-21 | — | — | EP | disclosed |
| US-6599894-B1 | Competitive inhibitors of trypsin-like proteases, such as thrombin, and in treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants | AstŕaZeneca AB (SE) | 2003-07-29 | — | — | US | disclosed |
| EP-1150996-A1 | NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | AstraZeneca AB (SE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000042059-A1 | NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-07-20 | — | — | WO | disclosed |