Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 5/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.59 |
| ▸ | PDE4A | P27815 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.59 |
| ▸ | ACHE | P22303 | 2/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27944759 | 1.00 | TNF (0.59) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8077198 | 0.87 | ADORA2B (0.62) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL6785565 | 0.87 | ADORA2B (0.62) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8695168 | 0.87 | ADORA2B (0.54) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8375264 | 0.87 | ADORA2B (0.54) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL2036206 | 0.87 | ADORA2B (0.54) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8003766 | 0.87 | ADORA2B (0.54) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL7604975 | 0.87 | ADORA2B (0.54) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8006003 | 0.87 | ADORA2B (0.54) | TNFADORA2BPDE4ALMNACYP1A2 | |
| SCHEMBL8375960 | 0.87 | ADORA2B (0.54) | TNFADORA2BPDE4ALMNACYP1A2 |
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 4 patents. 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 |
| EP-0746557-A4 | INTRACELLULAR SIGNALLING MEDIATORS | CELL THERAPEUTICS INC (US) | 1997-05-02 | — | — | EP | disclosed |
| EP-0746557-A1 | INTRACELLULAR SIGNALLING MEDIATORS | CELL THERAPEUTICS, INC. (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995022546-A1 | INTRACELLULAR SIGNALLING MEDIATORS | CELL THERAPEUTICS, INC. (US) | 1995-08-24 | — | — | WO | disclosed |