Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TGM2 | P21980 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL17626394 | 0.95 | KCNH2 (0.60) | KCNH2CYP3A4P2RX7TACR3P2RY12 | |
| SCHEMBL12952037 | 0.91 | KCNH2 (0.60) | KCNH2TP53CYP3A4P2RX7TACR3 | |
| SCHEMBL2068792 | 0.91 | KCNH2 (0.57) | KCNH2TP53TGM2P2RY12 | |
| SCHEMBL1051335 | 0.90 | KCNH2 (0.61) | KCNH2TP53CYP3A4CSNK1DCSNK1E | |
| SCHEMBL17626347 | 0.87 | KCNH2 (0.58) | KCNH2TP53CYP3A4P2RX7TACR3 | |
| SCHEMBL17626446 | 0.87 | KCNH2 (0.53) | KCNH2TP53P2RX7CSNK1E | |
| SCHEMBL17626356 | 0.86 | KCNH2 (0.62) | KCNH2TP53CYP3A4CSNK1DCSNK1E | |
| SCHEMBL20121567 | 0.86 | KCNH2 (0.63) | KCNH2TP53CYP3A4P2RX7TACR3 | |
| SCHEMBL2068519 | 0.85 | KCNH2 (0.59) | KCNH2TGM2CYP3A4P2RY12 | |
| SCHEMBL2068879 | 0.85 | KCNH2 (0.64) | KCNH2CYP3A4P2RX7TACR3CSNK1D |
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-2737927-B1 | Imidazo[1,2a]pyrazines and compositions comprising them for the treatment of parasitic diseases | NOVARTIS AG (CH) | 2016-03-30 | — | — | EP | claimed |