Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1911539 | 0.81 | CYP1A2 (0.54) | PIK3CDCYP1A2TDP1SMN1; SMN2KDM4E | |
| SCHEMBL9019588 | 0.81 | HPGD (0.42) | KMT2AALDH1A1MEN1HPGD | |
| SCHEMBL9019530 | 0.79 | ALDH1A1 (0.44) | SMN1; SMN2KMT2AALDH1A1MEN1HPGD | |
| SCHEMBL14407779 | 0.77 | CYP1A2 (0.77) | PIK3CDCYP1A2TDP1SMN1; SMN2KDM4E | |
| SCHEMBL860793 | 0.77 | CYP1A2 (0.77) | PIK3CDCYP1A2TDP1SMN1; SMN2KDM4E | |
| SCHEMBL37407 | 0.77 | — | — | |
| SCHEMBL3218610 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2KMT2AALDH1A1MEN1HPGD | |
| SCHEMBL4546657 | 0.76 | PIK3CD (0.48) | PIK3CDCYP1A2TDP1SMN1; SMN2KDM4E | |
| SCHEMBL9019514 | 0.76 | SMN1; SMN2 (0.50) | SMN1; SMN2KMT2AALDH1A1MEN1HPGD | |
| SCHEMBL9019591 | 0.76 | DPP4 (0.42) | KMT2AALDH1A1MEN1HPGD |
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-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 |
| EP-0515420-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES. | BOEHRINGER MANNHEIM GMBH (DE) | 1992-12-02 | — | — | EP | disclosed |
| WO-1991012230-A1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-22 | — | — | WO | disclosed |