Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KLK7 | P49862 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5057894 | 0.89 | SRC (0.42) | ALDH1A1GAASRCLMNAKDM4E | |
| SCHEMBL7615712 | 0.82 | KDM4E (0.43) | PPARAALDH1A1SRCMEN1KMT2A | |
| SCHEMBL5053141 | 0.79 | KDM4E (0.45) | NPC1PPARGPPARAALDH1A1TDP1 | |
| SCHEMBL8061504 | 0.78 | KLK7 (0.41) | NPC1PPARGPPARAALDH1A1KLK7 | |
| SCHEMBL8063959 | 0.77 | SRC (0.47) | PPARGPPARAALDH1A1SRCPOLB | |
| SCHEMBL7607341 | 0.77 | SRC (0.35) | PPARGPPARAALDH1A1SRCPOLB | |
| SCHEMBL21881189 | 0.76 | PPARG (0.55) | PPARGPPARAALDH1A1GAAMEN1 | |
| SCHEMBL7613562 | 0.75 | KCNA5 (0.49) | ALDH1A1LMNAHPGDHTTSMN1; SMN2 | |
| SCHEMBL2349789 | 0.75 | CPN1 (0.44) | LMNA | |
| SCHEMBL10040052 | 0.74 | ALDH1A1 (0.49) | NPC1ALDH1A1KLK7TDP1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046180-A | NAALADase inhibitors | GUILFORD PHARMACEUTICALS INC. (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0936914-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-08-25 | — | — | EP | disclosed |
| EP-0936914-A4 | — | — | 1999-08-25 | — | — | EP | disclosed |
| WO-1997048400-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1997-12-24 | — | — | WO | disclosed |