Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.50 |
| ▸ | TNF | P01375 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.43 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Lisofylline SCHEMBL6876196 | 1.00 | ADORA2B (0.50) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Lisofylline SCHEMBL6876201 | 1.00 | ADORA2B (0.50) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Lisofylline SCHEMBL13695588 | 0.95 | ADORA2B (0.48) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Lisofylline SCHEMBL13695587 | 0.95 | ADORA2B (0.48) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Lisofylline SCHEMBL13695586 | 0.95 | ADORA2B (0.48) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Lisofylline SCHEMBL6877342 | 0.93 | ADORA2B (0.52) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Lisofylline SCHEMBL6878416 | 0.93 | ADORA2B (0.52) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Lisofylline SCHEMBL6877052 | 0.93 | ADORA2B (0.52) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Pcs-499 SCHEMBL173235 | 0.91 | ADORA2B (0.62) | ADORA2BTNFLMNACYP1A2NFKB1 | |
| Lisofylline SCHEMBL6876106 | 0.91 | ADORA2B (0.62) | ADORA2BTNFLMNACYP1A2NFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611807-A2 | POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE | Concert Pharmaceuticals Inc. (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012031138-A9 | POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE | CONCERT PHARMACEUTICALS, INC. (US) | 2013-05-02 | — | — | WO | disclosed |
| WO-2012031138-A2 | POLYMORPHS OF (S)-1-(4,4,6,6,6-PENTADEUTERO-5-HYDROXYHEXYL)-3-7-DIMETHYL-1H-PURINE-2,6(3H,7H)DIONE | CONCERT PHARMACEUTICALS, INC. (US) | 2012-03-08 | — | — | WO | disclosed |