Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.47 |
| ▸ | FADS1 | O60427 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL90481 | 1.00 | NPC1 (0.53) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL6783917 | 0.84 | RAPGEF4 (0.46) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL241795 | 0.81 | RAB9A (0.46) | NPC1RAB9AKMT2AMAPTALDH1A1 | |
| SCHEMBL244815 | 0.81 | EPHX1 (0.52) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL6991764 | 0.76 | ALDH1A1 (0.47) | MAPTALDH1A1TSHRHSD17B10LMNA | |
| SCHEMBL5046512 | 0.76 | RAPGEF4 (0.50) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL11342814 | 0.76 | MAPT (0.51) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL19444177 | 0.76 | SMN1; SMN2 (0.48) | NPC1RAB9AKMT2AMAPTALDH1A1 | |
| SCHEMBL19791118 | 0.76 | ALDH1A1 (0.40) | NPC1RAB9AKMT2AMAPTALDH1A1 | |
| SCHEMBL2658362 | 0.76 | ALDH1A1 (0.40) | NPC1RAB9AMEN1KMT2AMAPT |
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-2017198744-A1 | NOVEL PYRAZINE COMPOUNDS WITH OXYGEN, SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-23 | — | — | WO | disclosed |