Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PTPRA | P18433 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8057354 | 0.86 | FDPS (0.44) | CYP1A2SMN1; SMN2CYP2C19PTPRATDP1 | |
| SCHEMBL8059121 | 0.76 | FDPS (0.47) | CYP1A2CYP2C19CYP3A4 | |
| SCHEMBL7206606 | 0.76 | CYP1A2 (0.56) | CYP1A2SMN1; SMN2CYP2C19PTPRAHRH1 | |
| SCHEMBL27461429 | 0.74 | CYP1A2 (0.55) | CYP1A2SMN1; SMN2CYP2C19PTPRAHRH1 | |
| SCHEMBL8503990 | 0.73 | CYP1A2 (0.70) | CYP1A2SMN1; SMN2CYP2C19PTPRAHRH1 | |
| SCHEMBL6856046 | 0.73 | CYP1A2 (0.54) | CYP1A2SMN1; SMN2CYP2C19PTPRAHRH1 | |
| SCHEMBL8878783 | 0.72 | TDP1 (0.51) | CYP1A2SMN1; SMN2CYP2C19PTPRAHRH1 | |
| SCHEMBL7644315 | 0.72 | GRM2 (0.44) | SMN1; SMN2TDP1RAB9ANPC1 | |
| SCHEMBL8058494 | 0.72 | CYP2C19 (0.40) | SMN1; SMN2CYP2C19TDP1HPGDRAB9A | |
| SCHEMBL7633968 | 0.72 | KIF11 (0.43) | CYP1A2CYP2C19TDP1RAB9ALMNA |
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 |