Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.59 |
| ▸ | TNF | P01375 | 4/20 | 0.59 |
| ▸ | PDE4A | P27815 | 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 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.59 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.51 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
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 SCHEMBL15341015 | 1.00 | ADORA2B (0.59) | ADORA2BTNFPDE4APDE4BPDE4C | |
| Lisofylline SCHEMBL1495075 | 0.93 | ADORA2B (0.59) | ADORA2BTNFPDE4APDE4BPDE4C | |
| Lisofylline, (S)- SCHEMBL1495100 | 0.93 | ADORA2B (0.67) | ADORA2BTNFPDE4APDE4BPDE4C | |
| Lisofylline SCHEMBL39131 | 0.93 | ADORA2B (0.67) | ADORA2BTNFPDE4APDE4BPDE4C | |
| Lisofylline SCHEMBL680306 | 0.93 | ADORA2B (0.67) | ADORA2BTNFPDE4APDE4BPDE4C | |
| Lisofylline SCHEMBL15423044 | 0.92 | ADORA2B (0.58) | ADORA2BTNFPDE4APDE4BPDE4C | |
| Lisofylline SCHEMBL15341010 | 0.92 | ADORA2B (0.58) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL8700060 | 0.92 | ADORA2B (0.66) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL8699282 | 0.92 | ADORA2B (0.66) | ADORA2BTNFPDE4APDE4BPDE4C | |
| SCHEMBL6778919 | 0.92 | ADORA2B (0.66) | ADORA2BTNFPDE4APDE4BPDE4C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9085788-B2 | Process for preparing an enantiomerically enriched, deuterated secondary alcohol from a corresponding ketone without reducing deuterium incorporation | CONCERT PHARMACEUTICALS, INC. (US) | 2015-07-21 | — | — | US | disclosed |
| US-20140017739-A1 | PROCESS FOR PREPARING AN ENANTIOMERICALLY ENRICHED, DEUTERATED SECONDARY ALCOHOL FROM A CORRESPONDING KETONE WITHOUT REDUCING DEUTERIUM INCORPORATION | CONCERT PHARMACEUTICALS, INC. (US) | 2014-01-16 | — | — | US | disclosed |