Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7743984 | 0.76 | PDE10A (0.42) | ALDH1A1MAPTMEN1MAPK1KMT2A | |
| SCHEMBL14331938 | 0.73 | ADORA3 (0.33) | ALDH1A1MAPTMEN1MAPK1KMT2A | |
| SCHEMBL31325654 | 0.66 | MAPK1 (0.54) | ALDH1A1MAPTMEN1MAPK1KMT2A | |
| SCHEMBL14331900 | 0.66 | MAPK1 (0.54) | ALDH1A1MAPTMEN1MAPK1KMT2A | |
| SCHEMBL1093205 | 0.66 | EGFR (0.34) | ALDH1A1MAPTMEN1MAPK1KMT2A | |
| SCHEMBL12146965 | 0.62 | POLB (0.53) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL30385323 | 0.60 | POLB (0.41) | ALDH1A1MAPTMEN1MAPK1KMT2A | |
| SCHEMBL30491333 | 0.59 | RXFP1 (0.35) | RXFP1 | |
| SCHEMBL29273529 | 0.59 | MAPK1 (0.39) | MAPK1 | |
| SCHEMBL22119735 | 0.59 | PDE10A (0.59) | ALDH1A1MAPTMEN1MAPK1KMT2A |
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-9309250-B2 | Substituted pyrrolo[2,3-b]pyrazines as ATR kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-04-12 | — | — | US | disclosed |