Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7061292 | 0.89 | CES2 (0.58) | RAB9ANPC1ALDH1A1CES2CES1 | |
| SCHEMBL7063178 | 0.89 | ELANE (0.50) | HPGDCYP11B1CYP11B2MEN1KMT2A | |
| SCHEMBL7063314 | 0.88 | HPGD (0.50) | HPGDCYP11B1CYP11B2PTGS2MEN1 | |
| Acetic Acid SCHEMBL9138173 | 0.83 | HPGD (0.70) | HPGDCYP11B1CYP11B2MAOBPTGS2 | |
| SCHEMBL7065322 | 0.83 | CA1 (0.54) | RAB9ANPC1KMT2AALDH1A1MAPT | |
| SCHEMBL532765 | 0.82 | HPGD (0.70) | HPGDCYP11B1CYP11B2MAOBPTGS2 | |
| SCHEMBL349467 | 0.82 | HPGD (0.70) | HPGDCYP11B1CYP11B2MAOBPTGS2 | |
| SCHEMBL2226770 | 0.82 | — | — | |
| SCHEMBL154527 | 0.82 | — | — | |
| SCHEMBL3870416 | 0.81 | KMT2A (0.49) | HPGDCYP11B1CYP11B2MAOBMAOA |
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-1134222-B1 | IMIDAZO[4,5-b]PYRIDINIUMMETHYL-CONTAINING CEPHEM COMPOUNDS HAVING BROAD ANTIBACTERIAL SPECTRUM | SHIONOGI & CO (JP) | 2005-04-13 | — | — | EP | disclosed |