Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9768869 | 0.89 | HDAC3 (0.41) | KDM4ECYP3A4MPOCYP1A2ADORA3 | |
| SCHEMBL9769034 | 0.84 | ATM (0.42) | KDM4ECYP3A4MPOCYP1A2ADORA3 | |
| SCHEMBL11072536 | 0.82 | GPBAR1 (0.43) | KDM4ECYP3A4MPOCYP1A2ADORA3 | |
| SCHEMBL9208536 | 0.80 | SMN1; SMN2 (0.53) | KDM4EKMT2ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL13317137 | 0.80 | SMN1; SMN2 (0.53) | KDM4EKMT2ASMN1; SMN2NPSR1ALDH1A1 | |
| SCHEMBL9768970 | 0.78 | KMT2A (0.40) | KDM4ECYP3A4MPOCYP1A2ADORA3 | |
| SCHEMBL9768946 | 0.76 | GPBAR1 (0.38) | KDM4ECYP3A4MPOCYP1A2ADORA3 | |
| SCHEMBL9795943 | 0.73 | SMN1; SMN2 (0.57) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9795947 | 0.73 | SMN1; SMN2 (0.57) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL9795925 | 0.72 | SMN1; SMN2 (0.56) | KDM4ECYP3A4CYP1A2CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011932-A | Anthelmintic pyridinyl acylhydrazones derivatives | UPJOHN COMPANY (US) | 1991-04-30 | — | — | US | claimed |
| EP-0214158-A1 | ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS | THE UPJOHN COMPANY (US) | 1987-03-18 | — | — | EP | claimed |
| WO-1986004582-A1 | ANTHELMINTIC PYRIDINYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS | THE UPJOHN COMPANY (US) | 1986-08-14 | — | — | WO | claimed |