Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.56 |
| ▸ | TNF | P01375 | 4/20 | 0.56 |
| ▸ | PDE4A | P27815 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.47 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8645007 | 0.89 | ADORA2B (0.61) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL8646019 | 0.85 | ADORA2B (0.57) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL8651179 | 0.85 | ADORA2B (0.59) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL8645950 | 0.81 | ADORA2B (0.63) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL8649442 | 0.80 | ADORA2B (0.56) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL8803064 | 0.79 | ADORA2B (0.55) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL8646391 | 0.79 | TNF (0.65) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL16120981 | 0.78 | ADORA2B (0.77) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL8682905 | 0.78 | ADORA2B (0.62) | ADORA2BTNFPDE4ALMNACYP1A2 | |
| SCHEMBL8149700 | 0.78 | ADORA2B (0.62) | ADORA2BTNFPDE4ALMNACYP1A2 |
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-5807862-A | Therapeutic compounds containing pyrimidinyl moieties | CELL THERAPEUTICS, INC. (US) | 1998-09-15 | — | — | US | disclosed |