Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | ITGAL | P20701 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8971679 | 0.89 | — | — | |
| SCHEMBL14407779 | 0.81 | CYP1A2 (0.77) | CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD | |
| SCHEMBL37407 | 0.81 | — | — | |
| SCHEMBL860793 | 0.81 | CYP1A2 (0.77) | CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD | |
| SCHEMBL15948455 | 0.80 | CYP1A2 (0.54) | CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD | |
| SCHEMBL447067 | 0.80 | CYP1A2 (0.54) | CYP1A2TDP1ALDH1A1HPGD | |
| SCHEMBL206419 | 0.79 | — | — | |
| SCHEMBL6807776 | 0.79 | — | — | |
| SCHEMBL9129373 | 0.78 | CYP1A2 (0.52) | CYP1A2TDP1KDM4ESMN1; SMN2PIK3CD | |
| SCHEMBL14312044 | 0.78 | HTT (0.35) | CYP1A2TDP1ALDH1A1 |
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-0515420-B1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-12 | — | — | EP | disclosed |
| US-5411989-A | Cardiovascular disorders | BOEHRINGER MANNHEIM, GMBH (DE) | 1995-05-02 | — | — | US | disclosed |