Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 8/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13865173 | 0.89 | PDE5A (0.53) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL4424864 | 0.86 | F2RL3 (0.52) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL4429083 | 0.86 | PDE5A (0.58) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL4434101 | 0.85 | BUB1 (0.45) | PDE5ACHRM1 | |
| SCHEMBL13865176 | 0.83 | PDE5A (0.62) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL7659743 | 0.81 | CYP1A2 (0.51) | PDE5ACYP2D6CYP1A2SCN8AKDM4E | |
| SCHEMBL27524575 | 0.80 | PDE5A (0.51) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL4849350 | 0.76 | PDE5A (1.00) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL13865213 | 0.74 | CYP2D6 (0.72) | PDE5ACYP2D6CYP1A2CYP3A4SCN8A | |
| SCHEMBL6450408 | 0.73 | PDE5A (0.60) | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934311-B1 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER HEALTHCARE AG (DE) | 2009-05-13 | — | — | EP | disclosed |
| EP-0934311-B1 | NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES | BAYER HEALTHCARE AG (DE) | 2009-05-13 | — | — | EP | 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 |
| CN-1241188-A | Heterocyclylmethyl-substed pyrazol derivs. | BAYER AG (DE) | 2000-01-12 | — | — | CN | 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 |