Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16220653 | 0.77 | ALDH1A1 (0.53) | MEN1KMT2AALDH1A1MAPTMAOA | |
| SCHEMBL16194600 | 0.74 | MEN1 (0.38) | MEN1KMT2AALDH1A1MAPTMAOA | |
| SCHEMBL27397709 | 0.65 | ALDH1A1 (0.43) | MEN1KMT2AALDH1A1MAPTMAOA | |
| SCHEMBL26926255 | 0.60 | HSD17B13 (0.50) | ADORA2B | |
| SCHEMBL379033 | 0.58 | MAOA (0.47) | ALDH1A1MAPTMAOAMAOBHSP90AA1 | |
| SCHEMBL22144561 | 0.58 | PKM (0.47) | ALDH1A1 | |
| SCHEMBL9521247 | 0.58 | ADORA2B (0.34) | MEN1KMT2AALDH1A1MAPTADORA2B | |
| SCHEMBL9409708 | 0.56 | ADORA2B (0.42) | KMT2AMAOAMAOBADORA2B | |
| SCHEMBL9409690 | 0.56 | — | — | |
| SCHEMBL9519935 | 0.56 | — | — |
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-2991981-B1 | DIAMINOPYRAZINE COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-03-01 | — | — | EP | disclosed |