Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | ITGB2 | P05107 | 4/20 | 0.45 |
| ▸ | ICAM1 | P05362 | 4/20 | 0.45 |
| ▸ | ITGAL | P20701 | 4/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.44 |
| ▸ | AKT1 | P31749 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21434180 | 0.83 | NPC1 (0.52) | NPC1TSHRRECQLRAB9ASMN1; SMN2 | |
| SCHEMBL21434147 | 0.81 | NPC1 (0.53) | NPC1TSHRRECQLRAB9ASMN1; SMN2 | |
| SCHEMBL21452774 | 0.81 | ITGB2 (0.54) | CYP1A2CYP2C19ITGB2ICAM1ITGAL | |
| SCHEMBL21452873 | 0.80 | CYP11B2 (0.41) | FAAHITGB2ICAM1ITGALRPS6KB1 | |
| SCHEMBL21453048 | 0.79 | RPS6KB1 (0.48) | CYP1A2CYP2C19ITGB2ICAM1ITGAL | |
| SCHEMBL21434001 | 0.79 | ITGB2 (0.58) | ITGB2ICAM1ITGALRPS6KB1CYP11B2 | |
| SCHEMBL21452752 | 0.78 | ITGB2 (0.47) | SMN1; SMN2FAAHITGB2ICAM1ITGAL | |
| SCHEMBL3881034 | 0.76 | MAPT (0.50) | NPC1TSHRRAB9ACYP1A2CYP2C19 | |
| SCHEMBL21434172 | 0.75 | NPC1 (0.62) | NPC1TSHRRECQLRAB9ASMN1; SMN2 | |
| SCHEMBL21434162 | 0.74 | NPC1 (0.53) | NPC1TSHRRECQLRAB9ASMN1; SMN2 |
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-2019193516-A2 | SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2019-10-10 | — | — | WO | disclosed |