Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9849423 | 0.77 | CYP19A1 (0.50) | CYP19A1KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL27766587 | 0.76 | HTT (0.44) | KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL7117493 | 0.76 | CYP19A1 (0.53) | CYP19A1KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL8601080 | 0.75 | HTT (0.43) | KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL9849448 | 0.75 | CYP19A1 (0.55) | CYP19A1KMT2ATBXAS1 | |
| SCHEMBL8558130 | 0.73 | NOS2 (0.44) | KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL9987621 | 0.73 | HTT (0.40) | KMT2AALDH1A1KDM4ELMNAPOLB | |
| SCHEMBL5655099 | 0.71 | CYP19A1 (0.84) | CYP19A1KMT2AMAOAMAOBQPCT | |
| SCHEMBL5145767 | 0.71 | MAPT (0.47) | KMT2AALDH1A1KDM4ELMNAPOLB | |
| SCHEMBL16919103 | 0.70 | GFER (0.41) | CYP19A1ALDH1A1KDM4ELMNAMAOA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0446604-A2 | Pyridine and related aza heterocycle derivatives as cardiovascular agents | AMERICAN CYANAMID COMPANY (US) | 1991-09-18 | — | — | EP | disclosed |