Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.38 |
| ▸ | ATR | Q13535 | 3/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | NMT1 | P30419 | 2/20 | 0.34 |
| ▸ | IKBKB | O14920 | 3/20 | 0.33 |
| ▸ | CHUK | O15111 | 3/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | AURKAIP1 | Q9NWT8 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | EED | O75530 | 1/20 | 0.32 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.32 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL29540861 | 0.77 | ATR (0.58) | CHEK1ATRPIK3CAIKBKBCHUK | |
| SCHEMBL101575 | 0.77 | ATR (0.58) | CHEK1ATRPIK3CAIKBKBCHUK | |
| SCHEMBL18599971 | 0.76 | MAPKAPK2 (0.34) | CDK2 | |
| SCHEMBL8738327 | 0.72 | NNMT (0.35) | — | |
| SCHEMBL21974392 | 0.66 | MAPT (0.41) | SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL15730738 | 0.64 | MKNK1 (0.53) | IKBKBCHUKSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL13540980 | 0.61 | CLK4 (0.38) | — | |
| SCHEMBL12506757 | 0.60 | ROCK2 (0.30) | — | |
| SCHEMBL13694518 | 0.59 | KCNH2 (0.44) | IKBKBCHUKSMN1; SMN2ALDH1A1 | |
| SCHEMBL3411509 | 0.59 | IKBKB (0.75) | CHEK1ATRPIK3CAIKBKBCHUK |
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-3184526-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR | Incyte Holdings Corporation (US) | 2017-06-28 | — | — | EP | disclosed |