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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Glycine SCHEMBL7359841 | 0.98 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1MAPK1CA1CA2 | |
| Hydrochloric Acid SCHEMBL4098661 | 0.92 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL1687346 | 0.91 | ALDH1A1 (0.61) | ALDH1A1L3MBTL1MAPK1CYP1A2CYP3A4 | |
| Cyclohexane SCHEMBL8585009 | 0.86 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1MAPK1CA1CA2 | |
| Hydrochloric Acid SCHEMBL11684413 | 0.82 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1MAPK1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL42973 | 0.80 | ALDH1A1 (0.66) | ALDH1A1L3MBTL1MAPK1CA1CA2 | |
| Hydrochloric Acid SCHEMBL715023 | 0.80 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1MAPK1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL1198106 | 0.79 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1MAPK1CA1CA2 | |
| Methylamine SCHEMBL6712859 | 0.79 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1MAPK1CA1CA2 | |
| Hydrochloric Acid SCHEMBL8053510 | 0.79 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPK1CA1CA2 |
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-6025472-A | PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS | CORVAS INTERNATIONAL, INC. (US) | 2000-02-15 | — | — | US | disclosed |
| US-5696231-A | ANTICOAGULANTS; CARDIOVASCULAR DISORDERS | CORVAS INTERNATIONAL, INC. (US) | 1997-12-09 | — | — | US | disclosed |