Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Glycine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B known ✓ | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C known ✓ | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D known ✓ | Q08499 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL41241 | 0.88 | KDM1A (0.39) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL27672161 | 0.88 | KDM1A (0.39) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| Thiourea SCHEMBL29139740 | 0.87 | KDM1A (0.35) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| Phosphine SCHEMBL27662410 | 0.86 | KDM1A (0.38) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL13723726 | 0.82 | KDM1A (0.39) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| Lysine SCHEMBL2323422 | 0.81 | GSR (0.44) | POLBTDP1 | |
| SCHEMBL15455784 | 0.79 | TDP1 (0.40) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL10616922 | 0.79 | MAPT (0.43) | ALDH1A1LMNASMN1; SMN2MAPTGLA | |
| SCHEMBL11581587 | 0.77 | HTT (0.44) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| Thiouracil SCHEMBL28203909 | 0.77 | TP53 (0.54) | PDE4APDE4BPDE4CPDE4DALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3362071-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Grünenthal GmbH (DE) | 2018-08-22 | — | — | EP | disclosed |
| WO-2017049294-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| WO-2011097269-A9 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | WO | disclosed |
| EP-2531200-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | Thar Pharmaceuticals, Inc. (US) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011097269-A1 | CRYSTALLIZATION METHOD AND BIOAVAILABILITY | THAR PHARMACEUTICALS, INC. (US) | 2011-08-11 | — | — | WO | disclosed |