Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5314636 | 0.79 | PDE5A (0.56) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL1225203 | 0.74 | CNR1 (0.54) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL3069801 | 0.73 | PDE5A (0.49) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL3621787 | 0.73 | ALDH1A1 (0.67) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL5311492 | 0.73 | CYP2D6 (0.47) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL3072072 | 0.72 | PDE5A (0.67) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL5560789 | 0.72 | PDE5A (0.57) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL13865211 | 0.70 | CYP2D6 (0.57) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL17696321 | 0.70 | CNR1 (0.59) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL6011543 | 0.70 | PDE5A (0.57) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007065010-A2 | ANTI-ANGIOGENESIS COMPOUNDS | HIF BIO, INC. (US) | 2007-06-07 | — | — | WO | disclosed |
| EP-1686127-A1 | New heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases | Bayer HealthCare AG (DE) | 2006-08-02 | — | — | EP | disclosed |
| US-6462068-B1 | CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| US-6414009-B1 | CARDIOVASCULAR DISORDERS; ANTICOAGULANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-02 | — | — | US | disclosed |
| US-6410740-B1 | CYCLIZATION OF THE CORRESPONDING AMIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-25 | — | — | US | disclosed |
| US-6387940-B1 | CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-14 | — | — | US | disclosed |
| US-6166027-A | Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |
| EP-0934311-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998016507-A2 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-23 | — | — | WO | disclosed |