Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 4/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.33 |
| ▸ | GABRP | O00591 | 3/20 | 0.33 |
| ▸ | GABRD | O14764 | 3/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.33 |
| ▸ | GABRE | P78334 | 3/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 3/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 3/20 | 0.33 |
| ▸ | GABRQ | Q9UN88 | 3/20 | 0.33 |
| ▸ | XIAP | P98170 | 3/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16521060 | 0.81 | XIAP (0.34) | RIPK1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL3324562 | 0.80 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL16506549 | 0.79 | KDM4E (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL19641430 | 0.77 | SIRT6 (0.40) | RIPK1XIAPBIRC2KMT2APOLB | |
| SCHEMBL30036680 | 0.77 | SIRT6 (0.40) | RIPK1XIAPBIRC2KMT2APOLB | |
| SCHEMBL16516076 | 0.77 | XIAP (0.34) | XIAPBIRC2 | |
| SCHEMBL30587474 | 0.73 | XIAP (0.33) | XIAPBIRC2 | |
| SCHEMBL9782940 | 0.71 | KMT2A (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21240971 | 0.71 | NOS3 (0.40) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL31394384 | 0.69 | ATM (0.51) | ATMKMT2AMEN1POLB |
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-3036235-B1 | NEW BIS-AMIDO PYRIDINES | BOEHRINGER INGELHEIM INT (DE) | 2017-04-19 | — | — | EP | disclosed |