Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 9/20 | 0.78 |
| ▸ | GRIN3B | O60391 | 9/20 | 0.78 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.78 |
| ▸ | GRIN2A | Q12879 | 9/20 | 0.78 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.78 |
| ▸ | GRIN2C | Q14957 | 9/20 | 0.78 |
| ▸ | GRIN3A | Q8TCU5 | 9/20 | 0.78 |
| ▸ | CCR5 | P51681 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5703000 | 0.98 | GRIN2D (0.78) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11848327 | 0.85 | CYP1A1 (0.59) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3739643 | 0.78 | CYP1A1 (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL3739640 | 0.78 | CYP1A1 (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2315188 | 0.78 | CYP1A1 (0.56) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8207538 | 0.76 | CYP1A1 (0.58) | MAPTKDM4ELMNAMEN1NPC1 | |
| SCHEMBL7675590 | 0.76 | GRIN2D (0.65) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL5702985 | 0.75 | GRIN2D (0.62) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL13128167 | 0.75 | CYP1A1 (0.56) | MAPTKDM4ELMNAMEN1NPC1 | |
| SCHEMBL7748711 | 0.75 | KDM4E (0.53) | MAPTKDM4ELMNAMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015120446-A1 | COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2015-08-13 | — | — | WO | disclosed |