Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.60 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | CACNA1G | O43497 | 4/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ATR | Q13535 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13005453 | 0.99 | ERN1 (0.59) | ERN1SMYD2APPCACNA1GMAP4K4 | |
| SCHEMBL13005466 | 0.94 | SMYD2 (0.63) | ERN1SMYD2MEN1KMT2APARP1 | |
| SCHEMBL13005469 | 0.91 | CHRM3 (0.54) | ERN1SMYD2PARP1CYP2C9 | |
| SCHEMBL13061007 | 0.88 | ERN1 (0.64) | ERN1SMYD2APPCACNA1GMAP4K4 | |
| SCHEMBL13060642 | 0.86 | ERN1 (0.62) | ERN1SMYD2APPCACNA1GMAP4K4 | |
| SCHEMBL13005547 | 0.82 | TACR2 (0.42) | ERN1SMYD2 | |
| SCHEMBL13060850 | 0.81 | SMYD2 (0.67) | ERN1SMYD2MEN1KMT2APARP1 | |
| SCHEMBL8252160 | 0.81 | NPSR1 (0.65) | CACNA1GMEN1KMT2AHPGDNPSR1 | |
| SCHEMBL774938 | 0.81 | ERN1 (0.70) | ERN1SMYD2APPCACNA1GMAP4K4 | |
| SCHEMBL13675357 | 0.80 | PARP1 (0.58) | ERN1CACNA1GMEN1KMT2APARP1 |
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 2 patents. 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 |
| 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 |