Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 8/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 8/20 | 0.46 |
| ▸ | ITGAL | P20701 | 8/20 | 0.46 |
| ▸ | FAAH | O00519 | 10/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21452909 | 0.87 | ITGB2 (0.48) | ITGB2ICAM1ITGALNPC1TSHR | |
| SCHEMBL21452908 | 0.87 | ITGB2 (0.48) | ITGB2ICAM1ITGALNPC1TSHR | |
| SCHEMBL21452773 | 0.85 | KMO (0.50) | KMOITGB2ICAM1ITGALNPC1 | |
| SCHEMBL21452771 | 0.85 | KMO (0.50) | KMOITGB2ICAM1ITGALNPC1 | |
| SCHEMBL21452910 | 0.83 | NPC1 (0.47) | ITGB2ICAM1ITGALNPC1TSHR | |
| SCHEMBL21453053 | 0.77 | FAAH (0.43) | ITGB2ICAM1ITGALFAAHNPC1 | |
| SCHEMBL21452770 | 0.77 | FAAH (0.43) | ITGB2ICAM1ITGALFAAHNPC1 | |
| SCHEMBL21434086 | 0.75 | ITGB2 (0.57) | KMOITGB2ICAM1ITGAL | |
| SCHEMBL21452865 | 0.72 | NPC1 (0.57) | KMOITGB2ICAM1ITGALFAAH | |
| SCHEMBL21452862 | 0.72 | KMT2A (0.44) | ITGB2ICAM1ITGAL |
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 |