Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MGAT2 | Q10469 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17545335 | 0.88 | RAB9A (0.60) | NPC1RAB9AL3MBTL1NOTUMTMEM97 | |
| SCHEMBL19219776 | 0.84 | NPC1 (0.53) | NPC1RAB9AL3MBTL1NOTUMTMEM97 | |
| SCHEMBL18391875 | 0.84 | NPC1 (0.55) | NPC1RAB9AL3MBTL1NOTUMTMEM97 | |
| SCHEMBL18391876 | 0.83 | NPC1 (0.54) | NPC1RAB9AL3MBTL1NOTUMTMEM97 | |
| SCHEMBL17545409 | 0.78 | NOTUM (0.47) | NOTUMGAAMAPK1 | |
| SCHEMBL18391877 | 0.77 | RAB9A (0.47) | NPC1RAB9AL3MBTL1KMT2ASMN1; SMN2 | |
| SCHEMBL19219780 | 0.77 | NOTUM (0.66) | NOTUMNPSR1SMN1; SMN2GAAMAPK1 | |
| SCHEMBL30659283 | 0.76 | NPC1 (1.00) | NPC1RAB9AL3MBTL1NOTUMTMEM97 | |
| SCHEMBL7469639 | 0.76 | NPC1 (1.00) | NPC1RAB9AL3MBTL1NOTUMTMEM97 | |
| SCHEMBL19219777 | 0.76 | RAB9A (0.53) | NPC1RAB9AL3MBTL1NOTUMTMEM97 |
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-2016025637-A1 | INDOLINE SULFONAMIDE INHIBITORS OF DAPE AND NDM-1 AND USE OF THE SAME | LOYOLA UNIVERSITY OF CHICAGO (US) | 2016-02-18 | — | — | WO | disclosed |