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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | EPOR | P19235 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 2/20 | 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 SCHEMBL7801464 | 0.90 | NPC1 (0.55) | NPC1RAB9ATDP1ALDH1A1MAOB | |
| 2-(Aminomethyl)Phenol SCHEMBL7798293 | 0.89 | NPC1 (0.46) | NPC1RAB9ATDP1EPORALDH1A1 | |
| Cyclohexylamine SCHEMBL7801463 | 0.89 | NPC1 (0.46) | NPC1RAB9ATDP1EPORALDH1A1 | |
| SCHEMBL30866102 | 0.87 | NPC1 (0.65) | NPC1RAB9ATDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL273688 | 0.87 | NPC1 (0.65) | NPC1RAB9ATDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7798169 | 0.86 | NPC1 (0.63) | NPC1RAB9ATDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7792570 | 0.83 | NPC1 (0.59) | NPC1RAB9ATDP1ALDH1A1SMN1; SMN2 | |
| Anisaldehyde SCHEMBL7798026 | 0.81 | ALDH1A1 (0.68) | NPC1RAB9AALDH1A1SMN1; SMN2BACE1 | |
| SCHEMBL7792557 | 0.80 | MAOB (0.52) | NPC1RAB9ATDP1ALDH1A1SMN1; SMN2 | |
| 2-(Aminomethyl)Phenol SCHEMBL7801377 | 0.80 | EPOR (0.45) | NPC1RAB9AEPORMAOBBACE1 |
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-6121054-A | DIVIDING FLUIDS AND PRECIPITATES; POSITIONING MULTICOMPARTMENT VESSELS ON SUPPORTS, SPINNING A CENTRIFUGE, ALLOWING PRECIPITATES TO SEDIMENT INTO VESSELS, EXCESS FLUIDS WILL BE EJECTED FROM THE TOP OF THE VESSEL | TREGA BIOSCIENCES, INC. (US) | 2000-09-19 | — | — | US | disclosed |