Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.87 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.63 |
| ▸ | CALCA | P06881 | 3/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL420510 | 0.93 | CYP2C9 (1.00) | CYP2C9KCNH2CALCAKCNE1CCR1 | |
| SCHEMBL1749374 | 0.91 | CYP2C9 (0.95) | CYP2C9KCNH2CALCAKCNE1CCR1 | |
| SCHEMBL1376381 | 0.85 | CYP2C9 (0.81) | CYP2C9KCNH2CALCAKCNE1CCR1 | |
| SCHEMBL13419820 | 0.85 | CYP2C9 (0.83) | CYP2C9KCNH2CALCAKCNE1CCR1 | |
| SCHEMBL1376921 | 0.84 | CYP2C9 (0.80) | CYP2C9KCNH2MAPTSMN1; SMN2MEN1 | |
| SCHEMBL12529638 | 0.84 | CYP2C9 (0.77) | CYP2C9KCNH2CALCAKCNE1CCR1 | |
| SCHEMBL1378080 | 0.84 | CYP2C9 (0.77) | CYP2C9KCNH2CALCAMAPTSMN1; SMN2 | |
| SCHEMBL1749433 | 0.84 | CYP2C9 (0.79) | CYP2C9KCNH2CALCAMAPTMEN1 | |
| SCHEMBL1378474 | 0.83 | CYP2C9 (0.81) | CYP2C9KCNH2CALCAKCNE1CCR1 | |
| SCHEMBL1379153 | 0.83 | CYP2C9 (0.76) | CYP2C9KCNH2CALCAMAPTLMNA |
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-1578748-B1 | TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ANGELETTI P IST RICHERCHE BIO (IT) | 2010-09-15 | — | — | EP | disclosed |