Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 6/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | DEGS1 | O15121 | 2/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 2/20 | 0.45 |
| ▸ | CASP7 | P55210 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2449550 | 0.91 | NOTUM (0.61) | NOTUMNPC1RAB9AKMT2ADEGS1 | |
| SCHEMBL18395507 | 0.90 | NOTUM (0.64) | NOTUMSMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL20494916 | 0.86 | NOTUM (0.59) | NOTUMSMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL16684657 | 0.86 | NOTUM (0.56) | NOTUMSMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL2636602 | 0.85 | NOTUM (0.54) | NOTUMALDH1A1MAPTRORC | |
| SCHEMBL16695120 | 0.85 | NOTUM (0.54) | NOTUMKMT2ADEGS1ALDH1A1MAPT | |
| SCHEMBL16695357 | 0.85 | NOTUM (1.00) | NOTUM | |
| SCHEMBL16695257 | 0.85 | NOTUM (1.00) | NOTUM | |
| SCHEMBL20742847 | 0.84 | NOTUM (0.53) | NOTUMSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL16695071 | 0.84 | NOTUM (0.74) | NOTUML3MBTL1ALDH1A1MAPTHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3063141-A1 | N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | BioMarin Pharmaceutical Inc. (US) | 2016-09-07 | — | — | EP | disclosed |
| WO-2015065937-A1 | N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | BIOMARIN PHARMACEUTICAL INC. (US) | 2015-05-07 | — | — | WO | disclosed |