Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTPRA | P18433 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3382383 | 0.81 | SMN1; SMN2 (0.40) | SMN1; SMN2CYP2C19 | |
| SCHEMBL8736688 | 0.78 | ALDH1A1 (0.36) | FDPSCYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL8736671 | 0.73 | HDAC3 (0.49) | SMN1; SMN2NPC1RAB9ALMNATDP1 | |
| SCHEMBL4869921 | 0.73 | SMN1; SMN2 (0.48) | SMN1; SMN2FDPSCYP1A2CYP2C19PTPRA | |
| SCHEMBL3415969 | 0.70 | MEN1 (0.44) | CYP1A2ALDH1A1MEN1KMT2A | |
| SCHEMBL1687805 | 0.70 | ALDH1A1 (0.36) | CYP1A2CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL6638562 | 0.68 | FDPS (0.54) | SMN1; SMN2FDPSCYP1A2CYP2C19PTPRA | |
| SCHEMBL8057354 | 0.68 | FDPS (0.44) | SMN1; SMN2FDPSCYP1A2CYP2C19PTPRA | |
| SCHEMBL3383321 | 0.68 | ALDH1A1 (0.42) | CYP1A2ALDH1A1ALOX15TDP1MEN1 | |
| SCHEMBL3384260 | 0.67 | CYP2C19 (0.35) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5795877-A | Inhibitors of NAALADase enzyme activity | GUILFORD PHARMACEUTICALS INC. (US) | 1998-08-18 | — | — | US | disclosed |