Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 7/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | PDE4A | P27815 | 2/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6876903 | 0.89 | TNF (0.45) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL6879047 | 0.84 | TNF (0.43) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL8060268 | 0.83 | TNF (0.63) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL6876740 | 0.81 | TNF (0.41) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL6877852 | 0.81 | ADORA2B (0.71) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL6880028 | 0.79 | TNF (0.56) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL6878129 | 0.77 | ADORA2B (0.62) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL6878419 | 0.77 | TNF (0.49) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL13695581 | 0.76 | TNF (0.47) | TNFLMNACYP1A2NFKB1ACHE | |
| SCHEMBL15471352 | 0.76 | TNF (0.48) | TNFLMNACYP1A2NFKB1ACHE |
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-9918987-B2 | Substituted xanthine derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2018-03-20 | — | — | US | disclosed |