Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 11/20 | 0.68 |
| ▸ | CCR1 | P32246 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL13733384 | 0.85 | NOTUM (0.57) | NOTUMSYKMAPK1MAP4K4 | |
| SCHEMBL21339818 | 0.82 | NOTUM (0.68) | NOTUMAKR1C3MEN1ALDH1A1LMNA | |
| SCHEMBL3440331 | 0.82 | NOTUM (0.54) | NOTUMSYKMAP4K4 | |
| SCHEMBL20840870 | 0.82 | NOTUM (0.68) | NOTUMAKR1C3MEN1ALDH1A1LMNA | |
| SCHEMBL16695183 | 0.81 | NOTUM (1.00) | NOTUMAKR1C3FFAR1 | |
| SCHEMBL895254 | 0.81 | NOTUM (1.00) | NOTUMAKR1C3FFAR1 | |
| SCHEMBL16695070 | 0.80 | NOTUM (0.74) | NOTUMAKR1C3HDAC1HDAC8HDAC6 | |
| SCHEMBL16695071 | 0.80 | NOTUM (0.74) | NOTUMAKR1C3HDAC1HDAC8HDAC6 | |
| SCHEMBL16695087 | 0.80 | NOTUM (0.74) | NOTUMAKR1C3HDAC1HDAC8HDAC6 | |
| SCHEMBL16994779 | 0.78 | TSHR (0.53) | NOTUMSYKMEN1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3063141-B1 | N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS | BIOMARIN PHARM INC (US) | 2018-02-28 | — | — | EP | disclosed |