Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19975701 | 1.00 | TNF (0.46) | TNFLMNANPSR1MAOAMAOB | |
| SCHEMBL8126411 | 1.00 | TNF (0.46) | TNFLMNANPSR1MAOAMAOB | |
| SCHEMBL12312038 | 0.87 | TNF (0.44) | TNFLMNANPSR1MAOAMAOB | |
| SCHEMBL6346563 | 0.86 | TNF (0.59) | TNFLMNANPSR1MAOAMAOB | |
| SCHEMBL6346559 | 0.86 | TNF (0.59) | TNFLMNANPSR1MAOAMAOB | |
| SCHEMBL6357312 | 0.84 | LMNA (0.43) | TNFLMNANPSR1MAOAMAOB | |
| SCHEMBL6349795 | 0.84 | RAB9A (0.41) | TNFLMNANPSR1MAOAMAOB | |
| SCHEMBL681774 | 0.84 | LMNA (0.44) | TNFLMNANPSR1TSHRSMN1; SMN2 | |
| SCHEMBL6357316 | 0.84 | LMNA (0.43) | TNFLMNANPSR1MAOAMAOB | |
| SCHEMBL6349797 | 0.84 | RAB9A (0.41) | TNFLMNANPSR1MAOAMAOB |
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 |