Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.64 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | CACNA1G | O43497 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | ATR | Q13535 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13060642 | 0.99 | ERN1 (0.62) | ERN1SMYD2CHRM3APPCACNA1G | |
| SCHEMBL13060850 | 0.93 | SMYD2 (0.67) | ERN1SMYD2CHRM3KMT2AMEN1 | |
| SCHEMBL13675357 | 0.93 | PARP1 (0.58) | ERN1CACNA1GKMT2AMEN1NPSR1 | |
| SCHEMBL12334148 | 0.92 | NPSR1 (0.58) | ERN1SMYD2CACNA1GKMT2AMEN1 | |
| SCHEMBL13060855 | 0.91 | CHRM3 (0.57) | ERN1SMYD2CHRM3CYP2C9PARP1 | |
| SCHEMBL13005454 | 0.88 | ERN1 (0.60) | ERN1SMYD2APPCACNA1GKMT2A | |
| SCHEMBL13005453 | 0.86 | ERN1 (0.59) | ERN1SMYD2APPCACNA1GKMT2A | |
| SCHEMBL5476524 | 0.86 | SMYD2 (0.62) | SMYD2KMT2AMEN1HPGDPARP1 | |
| SCHEMBL774938 | 0.84 | ERN1 (0.70) | ERN1SMYD2APPCACNA1GKMT2A | |
| SCHEMBL13005466 | 0.81 | SMYD2 (0.63) | ERN1SMYD2KMT2AMEN1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |